General Information of the Compound
| Compound ID |
CP0568364
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(methoxycarbamoyl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C30H33ClN4O5S2
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| Molecular Weight |
629.204
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| Canonical SMILES |
CONC(=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/C30H33ClN4O5S2/c1-17(19-5-7-20(8-6-19)25-15-22(31)11-14-24(25)28(36)33-40-2)35(16-18-3-4-18)30-32-26(27(41-30)21-9-10-21)29(37)34-42(38,39)23-12-13-23/h5-8,11,14-15,17-18,21,23H,3-4,9-10,12-13,16H2,1-2H3,(H,33,36)(H,34,37)/t17-/m1/s1
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| InChIKey |
VCGQWURGEVXVMK-QGZVFWFLSA-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