General Information of the Compound
| Compound ID |
CP0418580
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| Compound Name |
N-(3-chlorophenyl)-2-(3-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
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| Structure |
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| Formula |
C24H19ClN2O3
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| Molecular Weight |
418.88
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| Canonical SMILES |
COc1cccc(c1)-n1cc(C(=O)N(C)c2cccc(Cl)c2)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H19ClN2O3/c1-26(17-8-5-7-16(25)13-17)23(28)22-15-27(18-9-6-10-19(14-18)30-2)24(29)21-12-4-3-11-20(21)22/h3-15H,1-2H3
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| InChIKey |
XQDBHEUHZJUZOG-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