General Information of the Compound
| Compound ID |
CP0487784
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C29H23FN6O2
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| Molecular Weight |
506.541
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| Canonical SMILES |
Cn1ccc(n1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C29H23FN6O2/c1-35-9-8-23(34-35)24-13-20-27(31-15-32-28(20)33-24)19-3-2-4-25(21(19)14-37)36-10-7-17-11-18(16-5-6-16)12-22(30)26(17)29(36)38/h2-4,7-13,15-16,37H,5-6,14H2,1H3,(H,31,32,33)
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| InChIKey |
YFJJCCMQBJCZCP-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