General Information of the Compound
| Compound ID |
CP0393829
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| Compound Name |
(S)-4-(1-(1-(2-bromo-4-(trifluoromethyl)benzyl)indoline-7-carboxamido)ethyl)benzoic acid
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| Structure |
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| Formula |
C26H22BrF3N2O3
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| Molecular Weight |
547.371
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(cc3Br)C(F)(F)F)c12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H22BrF3N2O3/c1-15(16-5-7-18(8-6-16)25(34)35)31-24(33)21-4-2-3-17-11-12-32(23(17)21)14-19-9-10-20(13-22(19)27)26(28,29)30/h2-10,13,15H,11-12,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
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| InChIKey |
RGMPYKXUSAPTPK-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