General Information of the Compound
| Compound ID |
CP0304836
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| Compound Name |
N-[5-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1-methyl-2-oxopyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C37H36FN5O4
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| Molecular Weight |
633.724
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(cn(C)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C37H36FN5O4/c1-40-14-16-42(17-15-40)28-10-8-24(9-11-28)35(45)39-32-20-27(21-41(2)36(32)46)29-4-3-5-33(30(29)22-44)43-13-12-25-18-26(23-6-7-23)19-31(38)34(25)37(43)47/h3-5,8-13,18-21,23,44H,6-7,14-17,22H2,1-2H3,(H,39,45)
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| InChIKey |
BJLJQNWEMWZAPA-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