General Information of the Compound
| Compound ID |
CP0954974
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-5-{3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-7-methyl-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(C)(C)O)nc4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C29H30N4O2/c1-16-9-20(10-22-15-33(28(34)26(16)22)17(2)18-5-6-18)21-11-23-24(14-32-27(23)31-13-21)19-7-8-25(30-12-19)29(3,4)35/h7-14,17-18,35H,5-6,15H2,1-4H3,(H,31,32)/t17-/m0/s1
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| InChIKey |
KDEBSZUGORXLLQ-KRWDZBQOSA-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