C0M

N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE

Created:	2006-12-04
Last modified:	2011-06-04

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1 entries where C0M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	16

2D diagram of C0M

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Chemical Component Summary
Name	N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]naphthalene-1-carboxamide
Formula	C₂₇ H₂₈ N₄ O₂ S
Molecular Weight	472.602
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N4CCc1c(sc(c1C#N)NC(=O)c3c2ccccc2ccc3)C4)CCN5CCCCC5
SMILES	CACTVS	3.341	O=C(CCN1CCCCC1)N2CCc3c(C2)sc(NC(=O)c4cccc5ccccc45)c3C#N
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N
Canonical SMILES	CACTVS	3.341	O=C(CCN1CCCCC1)N2CCc3c(C2)sc(NC(=O)c4cccc5ccccc45)c3C#N
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N
InChI	InChI	1.03	InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
InChIKey	InChI	1.03	PRZGSWGFNRYBIP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15991561
ChEMBL	CHEMBL232599

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