General Information of the Compound
| Compound ID |
CP0969002
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| Compound Name |
N-{2-[(1S)-1-cyclopropylethyl]-6-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-oxo-2,3-dihydro-1H-isoindol-4-yl}acetamide
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
CC(=O)Nc1cc(-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(16-4-5-16)32-13-19-6-17(8-23(30-15(2)33)24(19)26(32)34)18-7-21-22(11-28-25(21)27-9-18)20-10-29-31(3)12-20/h6-12,14,16H,4-5,13H2,1-3H3,(H,27,28)(H,30,33)/t14-/m0/s1
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| InChIKey |
IFWCCKGRPYZCMU-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