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0MF : Summary
Code 
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0MF
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One-letter code 
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X
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Molecule name 
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N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
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Systematic names 
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Formula 
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C27 H24 Cl N5 O7
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Formal charge 
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0
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Molecular weight 
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565.962 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.370 |
COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5occc5)c(cc4Cl)[N+]([O-])=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5 |
Canonical SMILES
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CACTVS |
3.370 |
COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5occc5)c(cc4Cl)[N+]([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5 |
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IUPAC InChI  | InChI=1S/C27H24ClN5O7/c1-16-24(25(30-40-16)17-6-3-4-7-22(17)38-2)27(35)32-11-9-31(10-12-32)20-15-19(21(33(36)37)14-18(20)28)29-26(34)23-8-5-13-39-23/h3-8,13-15H,9-12H2,1-2H3,(H,29,34) |
IUPAC InChI key  | SFVFADOVSFCYBD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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64 (40 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2012-03-01
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Last modified at 
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2013-03-01
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Status 
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Released
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Obsoleted 
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Not Assigned
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