General Information of the Compound
| Compound ID |
CP0535901
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| Compound Name |
N-[1-[[(2S)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C31H38N4O4S
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| Molecular Weight |
562.736
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(N)=O
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| InChI |
InChI=1S/C31H38N4O4S/c1-20(2)17-23(27(32)36)33-28(37)24(18-21-11-5-3-6-12-21)34-30(39)31(15-9-4-10-16-31)35-29(38)26-19-22-13-7-8-14-25(22)40-26/h3,5-8,11-14,19-20,23-24H,4,9-10,15-18H2,1-2H3,(H2,32,36)(H,33,37)(H,34,39)(H,35,38)/t23-,24+/m1/s1
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| InChIKey |
FAIHNFWWIAKTEP-RPWUZVMVSA-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