General Information of the Compound
| Compound ID |
CP0282643
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| Compound Name |
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone
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| Structure |
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| Formula |
C23H20FN5O
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| Molecular Weight |
401.445
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| Canonical SMILES |
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccc(F)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-4-7-19-16(11-15)8-9-29(19)20(30)10-14-2-5-17(24)6-3-14/h2-7,11-13H,8-10H2,1H3,(H2,25,26,27)
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| InChIKey |
GLWXZSGYBQBVEI-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