General Information of the Compound
| Compound ID |
CP0170252
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C31H23FN4O3
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| Molecular Weight |
518.548
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(O)cc1
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| InChI |
InChI=1S/C31H23FN4O3/c32-25-13-20(17-4-5-17)12-19-10-11-36(31(39)28(19)25)27-3-1-2-22(24(27)15-37)29-23-14-26(35-30(23)34-16-33-29)18-6-8-21(38)9-7-18/h1-3,6-14,16-17,37-38H,4-5,15H2,(H,33,34,35)
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| InChIKey |
KDGYFQQXQZVVBN-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