General Information of the Compound
| Compound ID |
CP0457896
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| Compound Name |
(S)-2-methyl-2-(2-(3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)propanoic acid
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| Structure |
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| Formula |
C21H21F3N2O4S
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| Molecular Weight |
454.47
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| Canonical SMILES |
CC(C)(Sc1ccc2C[C@@H](Cc2c1)NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C21H21F3N2O4S/c1-20(2,18(27)28)31-17-8-3-12-9-15(10-13(12)11-17)26-19(29)25-14-4-6-16(7-5-14)30-21(22,23)24/h3-8,11,15H,9-10H2,1-2H3,(H,27,28)(H2,25,26,29)/t15-/m0/s1
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| InChIKey |
CZJAPAIWDHFJDF-HNNXBMFYSA-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