General Information of the Compound
| Compound ID |
CP0457768
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C31H27FN4O2
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| Molecular Weight |
506.581
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1
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| InChI |
InChI=1S/C31H27FN4O2/c32-26-15-21(18-4-5-18)14-20-9-13-36(31(38)29(20)26)28-3-1-2-22(25(28)17-37)23-8-12-34-30-24(23)16-27(35-30)19-6-10-33-11-7-19/h1-3,6,8-9,12-16,18,33,37H,4-5,7,10-11,17H2,(H,34,35)
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| InChIKey |
YBJUVZKBMMLNCB-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