General Information of the Compound
| Compound ID |
CP0969873
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| Compound Name |
2-Cyclopropyl-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)-6-methylbenzoic acid
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| Formula |
C32H31N3O3
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| Molecular Weight |
505.618
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4cc(C)c(C(=O)O)c(C5CC5)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C32H31N3O3/c1-16-8-21(10-24-15-35(31(36)28(16)24)18(3)19-4-5-19)23-12-26-27(14-34-30(26)33-13-23)22-9-17(2)29(32(37)38)25(11-22)20-6-7-20/h8-14,18-20H,4-7,15H2,1-3H3,(H,33,34)(H,37,38)/t18-/m0/s1
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| InChIKey |
RQJXYYPRJPPTAP-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