General Information of the Compound
| Compound ID |
CP0514529
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
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| Structure |
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| Formula |
C28H36ClF3N6O3
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| Molecular Weight |
597.082
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| Canonical SMILES |
FC(F)(F)C(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C28H36ClF3N6O3/c29-22-8-6-20(7-9-22)16-23(36-24(39)10-13-34-26(41)28(30,31)32)25(40)37-14-11-27(12-15-37,17-38-19-33-18-35-38)21-4-2-1-3-5-21/h6-9,18-19,21,23H,1-5,10-17H2,(H,34,41)(H,36,39)/t23-/m1/s1
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| InChIKey |
VJBLXWDMNUFOKM-HSZRJFAPSA-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