General Information of the Compound
| Compound ID |
CP0499032
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| Compound Name |
2-(4-Trifluoromethyl-phenyl)-thiazole-5-carboxylic acid (1-{[1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-carbamoyl}-pyrrolidin-3-yl)-methyl-amide
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| Structure |
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| Formula |
C30H40F3N5O2S
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| Molecular Weight |
591.744
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| Canonical SMILES |
CN(C1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CCC(C1)N(C)C(=O)c1cnc(s1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H40F3N5O2S/c1-29(2)13-9-22(10-14-29)37-15-11-24(18-37)36(4)28(40)38-16-12-23(19-38)35(3)27(39)25-17-34-26(41-25)20-5-7-21(8-6-20)30(31,32)33/h5-8,17,22-24H,9-16,18-19H2,1-4H3
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| InChIKey |
SKWFXNIWDGEMBS-UHFFFAOYSA-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