General Information of the Compound
| Compound ID |
CP0546240
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| Compound Name |
5-amino-N-[[4-[[(2S)-1-[(4-chlorophenyl)methylamino]-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C35H39ClN6O3
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| Molecular Weight |
627.189
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H39ClN6O3/c36-28-18-13-26(14-19-28)22-39-35(45)31(20-15-24-7-3-1-4-8-24)41-33(43)27-16-11-25(12-17-27)21-38-34(44)30-23-40-42(32(30)37)29-9-5-2-6-10-29/h2,5-6,9-14,16-19,23-24,31H,1,3-4,7-8,15,20-22,37H2,(H,38,44)(H,39,45)(H,41,43)/t31-/m0/s1
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| InChIKey |
QIUYSWLZSZRUOH-HKBQPEDESA-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