General Information of the Compound
| Compound ID |
CP0546523
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| Compound Name |
7-methyl-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one
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| Formula |
C23H17F3N4O
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| Molecular Weight |
422.41
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| Canonical SMILES |
Cc1cc(cc2CN(CC(F)(F)F)C(=O)c12)-c1cnc2[nH]cc(-c3ccncc3)c2c1
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| InChI |
InChI=1S/C23H17F3N4O/c1-13-6-15(7-17-11-30(12-23(24,25)26)22(31)20(13)17)16-8-18-19(10-29-21(18)28-9-16)14-2-4-27-5-3-14/h2-10H,11-12H2,1H3,(H,28,29)
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| InChIKey |
KCBSUMCQPXLBJU-UHFFFAOYSA-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