General Information of the Compound
| Compound ID |
CP0481865
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| Compound Name |
N-(5-chloro-2-methylphenyl)-2-(2,4-difluorophenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
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| Structure |
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| Formula |
C24H17ClF2N2O2
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| Molecular Weight |
438.861
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| Canonical SMILES |
CN(C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)c1cc(Cl)ccc1C
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| InChI |
InChI=1S/C24H17ClF2N2O2/c1-14-7-8-15(25)11-22(14)28(2)23(30)19-13-29(21-10-9-16(26)12-20(21)27)24(31)18-6-4-3-5-17(18)19/h3-13H,1-2H3
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| InChIKey |
ISQKXWHWYRBJMR-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7