General Information of the Compound
| Compound ID |
CP0057678
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C35H35FN6O2
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| Molecular Weight |
590.703
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2C)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
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| InChI |
InChI=1S/C35H35FN6O2/c1-22-28(5-4-6-31(22)42-12-11-24-17-25(23-7-8-23)18-29(36)33(24)35(42)44)26-19-30(34(43)40(3)21-26)38-32-10-9-27(20-37-32)41-15-13-39(2)14-16-41/h4-6,9-12,17-21,23H,7-8,13-16H2,1-3H3,(H,37,38)
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| InChIKey |
DDPZNTYDFQHBDJ-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