General Information of the Compound
| Compound ID |
CP0068444
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| Compound Name |
4-[4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
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| Structure |
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| Formula |
C34H33FN6O3
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| Molecular Weight |
592.675
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| Canonical SMILES |
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2n1C)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C34H33FN6O3/c1-38(2)34(44)40-12-9-21(10-13-40)29-17-25-31(36-19-37-32(25)39(29)3)24-5-4-6-28(26(24)18-42)41-14-11-22-15-23(20-7-8-20)16-27(35)30(22)33(41)43/h4-6,9,11,14-17,19-20,42H,7-8,10,12-13,18H2,1-3H3
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| InChIKey |
ZFYVRWXPNSKNJA-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