General Information of the Compound
| Compound ID |
CP0529863
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| Compound Name |
5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(4-fluorobenzyl)nicotinamide
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| Structure |
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| Formula |
C30H32ClFN6O
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| Molecular Weight |
547.078
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(cc4)C#N)CC3)c(Cl)c2)cc1
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| InChI |
InChI=1S/C30H32ClFN6O/c31-28-17-25(30(39)35-19-23-5-7-26(32)8-6-23)20-34-29(28)38-15-13-37(14-16-38)27-9-11-36(12-10-27)21-24-3-1-22(18-33)2-4-24/h1-8,17,20,27H,9-16,19,21H2,(H,35,39)
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| InChIKey |
FEYBOBAELIEEPL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound