General Information of the Compound
| Compound ID |
CP0966263
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| Compound Name |
4-(5-{2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl}-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,6-dimethylbenzoic acid
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| Formula |
C30H26F3N3O3
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| Molecular Weight |
533.55
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| Canonical SMILES |
Cc1cc(-c2c[nH]c3ncc(-c4cc5c(c(C(F)(F)F)c4)C(=O)N([C@@H](C)C4CC4)C5)cc23)cc(C)c1C(=O)O
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| InChI |
InChI=1S/C30H26F3N3O3/c1-14-6-19(7-15(2)25(14)29(38)39)23-12-35-27-22(23)9-20(11-34-27)18-8-21-13-36(16(3)17-4-5-17)28(37)26(21)24(10-18)30(31,32)33/h6-12,16-17H,4-5,13H2,1-3H3,(H,34,35)(H,38,39)/t16-/m0/s1
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| InChIKey |
CEVZJLUWJYZXMS-INIZCTEOSA-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