General Information of the Compound
| Compound ID |
CP0578074
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(ethoxycarbamoyl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C31H35ClN4O5S2
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| Molecular Weight |
643.231
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| Canonical SMILES |
CCONC(=O)c1ccc(Cl)cc1-c1ccc(cc1)[C@@H](C)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1
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| InChI |
InChI=1S/C31H35ClN4O5S2/c1-3-41-34-29(37)25-15-12-23(32)16-26(25)21-8-6-20(7-9-21)18(2)36(17-19-4-5-19)31-33-27(28(42-31)22-10-11-22)30(38)35-43(39,40)24-13-14-24/h6-9,12,15-16,18-19,22,24H,3-5,10-11,13-14,17H2,1-2H3,(H,34,37)(H,35,38)/t18-/m1/s1
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| InChIKey |
ZHKNZBBCHQBNCF-GOSISDBHSA-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