General Information of the Compound
| Compound ID |
CP0882450
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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)-2-methoxybenzoic acid
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| Formula |
C29H27N3O4
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| Molecular Weight |
481.552
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| Canonical SMILES |
COc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1C(=O)O
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| InChI |
InChI=1S/C29H27N3O4/c1-15-8-19(9-21-14-32(28(33)26(15)21)16(2)17-4-5-17)20-10-23-24(13-31-27(23)30-12-20)18-6-7-22(29(34)35)25(11-18)36-3/h6-13,16-17H,4-5,14H2,1-3H3,(H,30,31)(H,34,35)/t16-/m0/s1
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| InChIKey |
BKLMTKOKYKCRDZ-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