General Information of the Compound
| Compound ID |
CP0857563
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-5-methyl-1,2-diphenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C32H39Cl2N5O
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| Molecular Weight |
580.604
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C32H37N5O.2ClH/c1-24-12-10-17-29(25(24)2)36-22-20-35(21-23-36)19-11-18-33-32(38)30-26(3)37(28-15-8-5-9-16-28)31(34-30)27-13-6-4-7-14-27;;/h4-10,12-17H,11,18-23H2,1-3H3,(H,33,38);2*1H
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| InChIKey |
GQROKINCBADIKJ-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