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G65 : Summary
Code 
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G65
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One-letter code 
|
X
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Molecule name 
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Masitinib
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Systematic names 
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Formula 
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C28 H30 N6 O S
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Formal charge 
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0
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Molecular weight 
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498.642 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
Canonical SMILES
|
CACTVS |
3.385 |
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
|
IUPAC InChI  | InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) |
IUPAC InChI key  | WJEOLQLKVOPQFV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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66 (36 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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2016-12-21
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Last modified at 
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2017-11-17
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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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