General Information of the Compound
| Compound ID |
CP0954978
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
CNC(=O)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C26H26N6O2/c1-14(15-4-5-15)32-13-18-6-16(7-21(25(33)27-2)23(18)26(32)34)17-8-20-22(11-29-24(20)28-9-17)19-10-30-31(3)12-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,27,33)(H,28,29)/t14-/m0/s1
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| InChIKey |
QSLVNLAOJMXZIQ-AWEZNQCLSA-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