General Information of the Compound
| Compound ID |
CP0421680
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(1-hydroxybutan-2-ylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C32H42N6O4
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| Molecular Weight |
574.726
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| Canonical SMILES |
CCC(CO)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C32H42N6O4/c1-2-25(21-39)36-32(42)28(18-15-22-9-5-3-6-10-22)37-30(40)24-16-13-23(14-17-24)19-34-31(41)27-20-35-38(29(27)33)26-11-7-4-8-12-26/h4,7-8,11-14,16-17,20,22,25,28,39H,2-3,5-6,9-10,15,18-19,21,33H2,1H3,(H,34,41)(H,36,42)(H,37,40)/t25?,28-/m0/s1
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| InChIKey |
OQZFKGDCZZVCJD-NMXAJACMSA-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