General Information of the Compound
| Compound ID |
CP0578798
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(3,5-dibromoanilino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C34H36Br2N6O3
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| Molecular Weight |
736.509
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)Nc1cc(Br)cc(Br)c1
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| InChI |
InChI=1S/C34H36Br2N6O3/c35-25-17-26(36)19-27(18-25)40-34(45)30(16-13-22-7-3-1-4-8-22)41-32(43)24-14-11-23(12-15-24)20-38-33(44)29-21-39-42(31(29)37)28-9-5-2-6-10-28/h2,5-6,9-12,14-15,17-19,21-22,30H,1,3-4,7-8,13,16,20,37H2,(H,38,44)(H,40,45)(H,41,43)/t30-/m0/s1
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| InChIKey |
CLKYLFJYQRWVCU-PMERELPUSA-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