General Information of the Compound
| Compound ID |
CP0961710
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| Compound Name |
1-[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)phenyl]cyclopropane-1-carboxylic 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(C5(C(=O)O)CC5)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C31H29N3O3/c1-17-11-21(12-23-16-34(29(35)27(17)23)18(2)19-3-4-19)22-13-25-26(15-33-28(25)32-14-22)20-5-7-24(8-6-20)31(9-10-31)30(36)37/h5-8,11-15,18-19H,3-4,9-10,16H2,1-2H3,(H,32,33)(H,36,37)/t18-/m0/s1
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| InChIKey |
TUCICRNIPQLMDF-SFHVURJKSA-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