General Information of the Compound
| Compound ID |
CP0304835
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-methyl-3-[1-methyl-5-[[5-[4-(oxetan-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 |
C37H37FN6O3
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| Molecular Weight |
632.74
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| Canonical SMILES |
Cc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c(=O)n(C)c1
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| InChI |
InChI=1S/C37H37FN6O3/c1-23-30(4-3-5-33(23)44-11-10-25-16-26(24-6-7-24)17-31(38)35(25)37(44)46)27-18-32(36(45)41(2)20-27)40-34-9-8-28(19-39-34)42-12-14-43(15-13-42)29-21-47-22-29/h3-5,8-11,16-20,24,29H,6-7,12-15,21-22H2,1-2H3,(H,39,40)
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| InChIKey |
RFRWGHSIAPNITJ-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