General Information of the Compound
| Compound ID |
CP0474077
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| Compound Name |
2-[3-[5-[[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-2-yl]amino]-1-methyl-6-oxopyridin-3-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C38H37FN6O4
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| Molecular Weight |
660.75
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| Canonical SMILES |
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C(=O)C2CC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C38H37FN6O4/c1-42-21-27(19-32(37(42)48)41-34-10-9-28(20-40-34)43-13-15-44(16-14-43)36(47)24-7-8-24)29-3-2-4-33(30(29)22-46)45-12-11-25-17-26(23-5-6-23)18-31(39)35(25)38(45)49/h2-4,9-12,17-21,23-24,46H,5-8,13-16,22H2,1H3,(H,40,41)
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| InChIKey |
DJZSEWHZAWIJAL-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