General Information of the Compound
| Compound ID |
CP0529516
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C38H38FN5O4
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| Molecular Weight |
647.751
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| Canonical SMILES |
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C38H38FN5O4/c1-42-19-28(17-33(37(42)46)41-35-8-7-26(18-40-35)24-9-12-43(13-10-24)29-21-48-22-29)30-3-2-4-34(31(30)20-45)44-14-11-25-15-27(23-5-6-23)16-32(39)36(25)38(44)47/h2-4,7-8,11,14-19,23-24,29,45H,5-6,9-10,12-13,20-22H2,1H3,(H,40,41)
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| InChIKey |
BZPWECQJUPAMSV-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