General Information of the Compound
| Compound ID |
CP0304840
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-[4-(1-methylazetidin-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C38H40FN7O3
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| Molecular Weight |
661.782
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| Canonical SMILES |
CN1CC(C1)N1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
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| InChI |
InChI=1S/C38H40FN7O3/c1-42-21-29(22-42)45-14-12-44(13-15-45)28-8-9-35(40-19-28)41-33-18-27(20-43(2)37(33)48)30-4-3-5-34(31(30)23-47)46-11-10-25-16-26(24-6-7-24)17-32(39)36(25)38(46)49/h3-5,8-11,16-20,24,29,47H,6-7,12-15,21-23H2,1-2H3,(H,40,41)
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| InChIKey |
WKCVILZBPCHGNC-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