General Information of the Compound
| Compound ID |
CP0457967
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| Compound Name |
5-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H27ClN6O2
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| Molecular Weight |
466.973
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| Canonical SMILES |
Cc1c(NC(=O)c2ccccc2Cl)[nH]nc1C(=O)NCCC1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C24H27ClN6O2/c1-16-21(29-30-22(16)28-23(32)19-4-2-3-5-20(19)25)24(33)27-13-6-17-9-14-31(15-10-17)18-7-11-26-12-8-18/h2-5,7-8,11-12,17H,6,9-10,13-15H2,1H3,(H,27,33)(H2,28,29,30,32)
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| InChIKey |
ZSIPLKUUXBKNRJ-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