General Information of the Compound
| Compound ID |
CP0320927
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| Compound Name |
4-[4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
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| Structure |
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| Formula |
C32H31FN6O4S
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| Molecular Weight |
614.703
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C32H31FN6O4S/c1-37(2)44(42,43)38-11-8-20(9-12-38)27-16-24-30(34-18-35-31(24)36-27)23-4-3-5-28(25(23)17-40)39-13-10-21-14-22(19-6-7-19)15-26(33)29(21)32(39)41/h3-5,8,10,13-16,18-19,40H,6-7,9,11-12,17H2,1-2H3,(H,34,35,36)
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| InChIKey |
XLNAKVIGXUYWTM-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