General Information of the Compound
| Compound ID |
CP0536085
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C33H26FN3O3
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| Molecular Weight |
531.587
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C33H26FN3O3/c1-40-23-9-7-20(8-10-23)29-17-26-25(11-13-35-32(26)36-29)24-3-2-4-30(27(24)18-38)37-14-12-21-15-22(19-5-6-19)16-28(34)31(21)33(37)39/h2-4,7-17,19,38H,5-6,18H2,1H3,(H,35,36)
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| InChIKey |
QONJMRDWDYXMHN-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