General Information of the Compound
| Compound ID |
CP0490717
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| Compound Name |
3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)thiazolidine-4-carboxamide
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| Structure |
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| Formula |
C27H28FN3O2S
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| Molecular Weight |
477.605
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1C(CSC1c1cccc(F)c1)C(=O)NCc1ccccn1
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| InChI |
InChI=1S/C27H28FN3O2S/c1-27(2,3)20-12-10-18(11-13-20)25(33)31-23(24(32)30-16-22-9-4-5-14-29-22)17-34-26(31)19-7-6-8-21(28)15-19/h4-15,23,26H,16-17H2,1-3H3,(H,30,32)
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| InChIKey |
WAUKAQAVXNKWTO-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