General Information of the Compound
| Compound ID |
CP0957345
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| Compound Name |
2-[(1S)-1-Cyclopropylpropyl]-7-methyl-5-[3-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
CC[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5ccncc5)c4c3)cc(C)c2C1=O
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| InChI |
InChI=1S/C27H26N4O/c1-3-24(18-4-5-18)31-15-21-11-19(10-16(2)25(21)27(31)32)20-12-22-23(14-30-26(22)29-13-20)17-6-8-28-9-7-17/h6-14,18,24H,3-5,15H2,1-2H3,(H,29,30)/t24-/m0/s1
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| InChIKey |
ODEGDCHYZFNUKU-DEOSSOPVSA-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