General Information of the Compound
| Compound ID |
CP0737228
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| Compound Name |
N-((S)-3-((S)-1-(isobutylamino)-1-oxopropan-2-ylamino)-1-phenylpropan-2-yl)-3-(2-((1S,2S)-2-methylcyclopropyl)ethyl)-5-(N-methylmethan-5-ylsulfonamido)benzamide
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| Structure |
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| Formula |
C31H46N4O4S
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| Molecular Weight |
570.8
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| Canonical SMILES |
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(CCC2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C31H46N4O4S/c1-21(2)19-33-30(36)23(4)32-20-28(16-24-10-8-7-9-11-24)34-31(37)27-15-25(12-13-26-14-22(26)3)17-29(18-27)35(5)40(6,38)39/h7-11,15,17-18,21-23,26,28,32H,12-14,16,19-20H2,1-6H3,(H,33,36)(H,34,37)/t22-,23-,26?,28-/m0/s1
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| InChIKey |
BWAPWBLINFCSAX-ZZHXQKOKSA-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