General Information of the Compound
| Compound ID |
CP0322318
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| Compound Name |
2-(2-cyclopropylpropan-2-yl)-7-methyl-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-isoindol-1-one
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
Cc1cc(cc2CN(C(=O)c12)C(C)(C)C1CC1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
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| InChI |
InChI=1S/C27H26N4O/c1-16-10-18(11-20-15-31(26(32)24(16)20)27(2,3)21-4-5-21)19-12-22-23(14-30-25(22)29-13-19)17-6-8-28-9-7-17/h6-14,21H,4-5,15H2,1-3H3,(H,29,30)
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| InChIKey |
DJUGCQJEZFTMJE-UHFFFAOYSA-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