General Information of the Compound
| Compound ID |
CP0871154
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-1,2-diphenyl-1Himidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C31H37Cl2N5O
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| Molecular Weight |
566.577
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C31H35N5O.2ClH/c1-24-11-9-16-29(25(24)2)35-21-19-34(20-22-35)18-10-17-32-31(37)28-23-36(27-14-7-4-8-15-27)30(33-28)26-12-5-3-6-13-26;;/h3-9,11-16,23H,10,17-22H2,1-2H3,(H,32,37);2*1H
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| InChIKey |
IZALGFLYXJGOOO-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