General Information of the Compound
| Compound ID |
CP0502293
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| Compound Name |
1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)-4-(5-fluoropyridin-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C23H21FN4O
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| Molecular Weight |
388.446
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| Canonical SMILES |
CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(cc1=O)-c1ccc(F)cn1
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| InChI |
InChI=1S/C23H21FN4O/c1-26-9-8-19-18-5-4-17(12-21(18)27(2)22(19)14-26)28-10-7-15(11-23(28)29)20-6-3-16(24)13-25-20/h3-7,10-13H,8-9,14H2,1-2H3
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| InChIKey |
HCKAAUAUOFIPMF-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