General Information of the Compound
| Compound ID |
CP0436656
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| Compound Name |
2-[3-[2-(4-acetylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C34H26FN3O3
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| Molecular Weight |
543.598
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| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C34H26FN3O3/c1-19(40)20-5-9-22(10-6-20)30-17-27-26(11-13-36-33(27)37-30)25-3-2-4-31(28(25)18-39)38-14-12-23-15-24(21-7-8-21)16-29(35)32(23)34(38)41/h2-6,9-17,21,39H,7-8,18H2,1H3,(H,36,37)
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| InChIKey |
WWAHASHZYLQVKK-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