General Information of the Compound
| Compound ID |
CP0418377
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| Compound Name |
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide
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| Structure |
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| Formula |
C24H36ClN5O
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| Molecular Weight |
446.039
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| Canonical SMILES |
CC(C)Cn1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
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| InChI |
InChI=1S/C24H36ClN5O/c1-17(2)16-30-19(4)23(27-20(30)5)24(31)26-10-7-11-28-12-14-29(15-13-28)22-9-6-8-21(25)18(22)3/h6,8-9,17H,7,10-16H2,1-5H3,(H,26,31)
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| InChIKey |
WIADIALKINPUDL-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter