General Information of the Compound
| Compound ID |
CP0457767
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C27H22FN3O2
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| Molecular Weight |
439.49
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| Canonical SMILES |
Cc1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C27H22FN3O2/c1-15-11-21-20(7-9-29-26(21)30-15)19-3-2-4-24(22(19)14-32)31-10-8-17-12-18(16-5-6-16)13-23(28)25(17)27(31)33/h2-4,7-13,16,32H,5-6,14H2,1H3,(H,29,30)
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| InChIKey |
DXMJNCSUXSJYII-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