General Information of the Compound
| Compound ID |
CP0954975
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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)benzonitrile
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| Formula |
C28H24N4O
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| Molecular Weight |
432.527
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C#N)cc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C28H24N4O/c1-16-9-21(10-23-15-32(28(33)26(16)23)17(2)19-7-8-19)22-11-24-25(14-31-27(24)30-13-22)20-5-3-18(12-29)4-6-20/h3-6,9-11,13-14,17,19H,7-8,15H2,1-2H3,(H,30,31)/t17-/m0/s1
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| InChIKey |
CLSGBDYZGYJFSD-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