General Information of the Compound
| Compound ID |
CP0954977
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| Compound Name |
2-Cyclopropyl-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)benzoic acid
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| Formula |
C31H29N3O3
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| Molecular Weight |
491.591
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C5CC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C31H29N3O3/c1-16-9-21(10-23-15-34(30(35)28(16)23)17(2)18-3-4-18)22-12-26-27(14-33-29(26)32-13-22)20-7-8-24(31(36)37)25(11-20)19-5-6-19/h7-14,17-19H,3-6,15H2,1-2H3,(H,32,33)(H,36,37)/t17-/m0/s1
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| InChIKey |
IUOJJRVJEJQVFA-KRWDZBQOSA-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