General Information of the Compound
| Compound ID |
CP0301277
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| Compound Name |
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-5-[[3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]methyl]thian-4-ol
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| Structure |
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| Formula |
C27H33F3N2O3S
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| Molecular Weight |
522.633
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| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1
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| InChI |
InChI=1S/C27H33F3N2O3S/c1-26(2,3)21-6-4-5-18(10-21)13-31-24-16-36(34,35)15-19(25(24)33)9-17-7-8-23-22(11-17)20(14-32-23)12-27(28,29)30/h4-8,10-11,14,19,24-25,31-33H,9,12-13,15-16H2,1-3H3/t19-,24+,25+/m1/s1
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| InChIKey |
OXBSBQCQNMHCTP-NGXZDTIWSA-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