General Information of the Compound
| Compound ID |
CP0952941
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| Compound Name |
2-[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-methylphenyl]acetic acid
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| Formula |
C30H29N3O3
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| Molecular Weight |
479.58
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| Canonical SMILES |
Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN([C@@H](C)C4CC4)C5=O)cc23)ccc1CC(=O)O
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| InChI |
InChI=1S/C30H29N3O3/c1-16-8-21(7-6-20(16)12-27(34)35)26-14-32-29-25(26)11-23(13-31-29)22-9-17(2)28-24(10-22)15-33(30(28)36)18(3)19-4-5-19/h6-11,13-14,18-19H,4-5,12,15H2,1-3H3,(H,31,32)(H,34,35)/t18-/m0/s1
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| InChIKey |
OCQUMEFEIIGHMM-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