General Information of the Compound
| Compound ID |
CP0552796
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| Compound Name |
5-amino-N-[[4-[[(2S)-1-(butylamino)-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C32H42N6O3
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| Molecular Weight |
558.727
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| Canonical SMILES |
CCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C32H42N6O3/c1-2-3-20-34-32(41)28(19-16-23-10-6-4-7-11-23)37-30(39)25-17-14-24(15-18-25)21-35-31(40)27-22-36-38(29(27)33)26-12-8-5-9-13-26/h5,8-9,12-15,17-18,22-23,28H,2-4,6-7,10-11,16,19-21,33H2,1H3,(H,34,41)(H,35,40)(H,37,39)/t28-/m0/s1
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| InChIKey |
IBILCWJZJOHMEZ-NDEPHWFRSA-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