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A1T

Summary
Name:5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE
Formula:C41 H49 N5 O2
Formal charge:0
Formula weight:643.86 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-pentyl-N-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
OpenEye OEToolkits1.5.05-pentyl-N-[[4-(4-piperidin-1-ylcarbonylphenyl)phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N1CCCCC1)c2ccc(cc2)c3ccc(cc3)CN(C(=O)c4ncc(cc4)CCCCC)C6CCN(Cc5ncccc5)CC6
SMILES_CANONICALCACTVS3.341CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6
SMILESCACTVS3.341CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6
SMILESOpenEye OEToolkits1.5.0CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6
InChIInChI1.03InChI=1S/C41H49N5O2/c1-2-3-5-10-32-14-21-39(43-29-32)41(48)46(38-22-27-44(28-23-38)31-37-11-6-7-24-42-37)30-33-12-15-34(16-13-33)35-17-19-36(20-18-35)40(47)45-25-8-4-9-26-45/h6-7,11-21,24,29,38H,2-5,8-10,22-23,25-28,30-31H2,1H3
InChIKeyInChI1.03RBZSSVVTHOATHE-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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