General Information of the Compound
| Compound ID |
CP0568943
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(hexylcarbamoyl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C35H43ClN4O4S2
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| Molecular Weight |
683.34
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| Canonical SMILES |
CCCCCCNC(=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/C35H43ClN4O4S2/c1-3-4-5-6-19-37-33(41)29-18-15-27(36)20-30(29)25-11-9-24(10-12-25)22(2)40(21-23-7-8-23)35-38-31(32(45-35)26-13-14-26)34(42)39-46(43,44)28-16-17-28/h9-12,15,18,20,22-23,26,28H,3-8,13-14,16-17,19,21H2,1-2H3,(H,37,41)(H,39,42)/t22-/m1/s1
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| InChIKey |
QFOSCCFKIGQSEZ-JOCHJYFZSA-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