General Information of the Compound
| Compound ID |
CP0170723
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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-dimethylbenzamide
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| Structure |
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| Formula |
C34H28FN5O3
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| Molecular Weight |
573.628
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)28-16-25-31(36-18-37-32(25)38-28)24-4-3-5-29(26(24)17-41)40-13-12-22-14-23(19-6-7-19)15-27(35)30(22)34(40)43/h3-5,8-16,18-19,41H,6-7,17H2,1-2H3,(H,36,37,38)
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| InChIKey |
VZPFZJCTIHOMPP-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