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3LP : Summary
Code
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3LP
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One-letter code
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X
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Molecule name
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1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
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Systematic names
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Formula
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C22 H32 N2 O
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Formal charge
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0
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Molecular weight
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340.502 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C |
SMILES
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CACTVS |
3.341 |
Cc1ccc2n(C[CH](O)CNC3CCCCC3)c4CCCCc4c2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccc2c(c1)c3c(n2CC(CNC4CCCCC4)O)CCCC3 |
Canonical SMILES
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CACTVS |
3.341 |
Cc1ccc2n(C[C@@H](O)CNC3CCCCC3)c4CCCCc4c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3 |
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IUPAC InChI | InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1 |
IUPAC InChI key | AXYFCRIRLKSCRR-SFHVURJKSA-N |
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wwPDB Information |
Atom count
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57 (25 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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2007-03-28
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Last modified at
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2011-06-04
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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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