General Information of the Compound
| Compound ID |
CP0959446
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| Compound Name |
4-(5-{2-[(1S)-1-Cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-fluorobenzoic acid
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| Formula |
C28H24FN3O3
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| Molecular Weight |
469.516
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(F)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C28H24FN3O3/c1-14-7-18(8-20-13-32(27(33)25(14)20)15(2)16-3-4-16)19-9-22-23(12-31-26(22)30-11-19)17-5-6-21(28(34)35)24(29)10-17/h5-12,15-16H,3-4,13H2,1-2H3,(H,30,31)(H,34,35)/t15-/m0/s1
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| InChIKey |
BGRSSTUNNJNVIK-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