General Information of the Compound
| Compound ID |
CP0231326
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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-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
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| Structure |
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| Formula |
C32H29FN6O3
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| Molecular Weight |
564.621
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| Canonical SMILES |
CNC(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C32H29FN6O3/c1-34-32(42)38-10-7-19(8-11-38)26-15-23-29(35-17-36-30(23)37-26)22-3-2-4-27(24(22)16-40)39-12-9-20-13-21(18-5-6-18)14-25(33)28(20)31(39)41/h2-4,7,9,12-15,17-18,40H,5-6,8,10-11,16H2,1H3,(H,34,42)(H,35,36,37)
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| InChIKey |
DVWNCKDRLHFAJV-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