General Information of the Compound
| Compound ID |
CP0967979
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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-methylbenzoic acid
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| Formula |
C29H24F3N3O3
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| Molecular Weight |
519.523
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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)ccc1C(=O)O
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| InChI |
InChI=1S/C29H24F3N3O3/c1-14-7-17(5-6-21(14)28(37)38)23-12-34-26-22(23)9-19(11-33-26)18-8-20-13-35(15(2)16-3-4-16)27(36)25(20)24(10-18)29(30,31)32/h5-12,15-16H,3-4,13H2,1-2H3,(H,33,34)(H,37,38)/t15-/m0/s1
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| InChIKey |
FFZZOMBYEOOUPZ-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