General Information of the Compound
| Compound ID |
CP0966262
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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-(pyrrolidin-1-yl)benzoic acid
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| Formula |
C32H32N4O3
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| Molecular Weight |
520.633
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(N5CCCC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C32H32N4O3/c1-18-11-22(12-24-17-36(31(37)29(18)24)19(2)20-5-6-20)23-13-26-27(16-34-30(26)33-15-23)21-7-8-25(32(38)39)28(14-21)35-9-3-4-10-35/h7-8,11-16,19-20H,3-6,9-10,17H2,1-2H3,(H,33,34)(H,38,39)/t19-/m0/s1
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| InChIKey |
YCVJAMVHRLOSLV-IBGZPJMESA-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