General Information of the Compound
| Compound ID |
CP0052935
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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-dimethylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C33H33FN6O3
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| Molecular Weight |
580.664
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| Canonical SMILES |
CN(C)C(=O)N1CCC(CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C33H33FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,10,13-16,18-20,41H,6-9,11-12,17H2,1-2H3,(H,35,36,37)
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| InChIKey |
OWKKEYQNGTWCAL-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