General Information of the Compound
| Compound ID |
CP0967970
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| Compound Name |
2-(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 |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccccc4C(=O)O)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C28H25N3O3/c1-15-9-18(10-20-14-31(27(32)25(15)20)16(2)17-7-8-17)19-11-23-24(13-30-26(23)29-12-19)21-5-3-4-6-22(21)28(33)34/h3-6,9-13,16-17H,7-8,14H2,1-2H3,(H,29,30)(H,33,34)/t16-/m0/s1
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| InChIKey |
BHZDHXCSQLCYPB-INIZCTEOSA-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