General Information of the Compound
| Compound ID |
CP0334400
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C25H19FN4O2
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| Molecular Weight |
426.451
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C25H19FN4O2/c26-20-11-16(14-4-5-14)10-15-7-9-30(25(32)22(15)20)21-3-1-2-17(19(21)12-31)23-18-6-8-27-24(18)29-13-28-23/h1-3,6-11,13-14,31H,4-5,12H2,(H,27,28,29)
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| InChIKey |
KXZFJDNWACAPAD-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