General Information of the Compound
| Compound ID |
CP0379329
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C28H21FN6O2
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| Molecular Weight |
492.514
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1cc[nH]n1
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| InChI |
InChI=1S/C28H21FN6O2/c29-21-11-17(15-4-5-15)10-16-7-9-35(28(37)25(16)21)24-3-1-2-18(20(24)13-36)26-19-12-23(22-6-8-32-34-22)33-27(19)31-14-30-26/h1-3,6-12,14-15,36H,4-5,13H2,(H,32,34)(H,30,31,33)
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| InChIKey |
RSCGMICCVQPHLM-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