General Information of the Compound
| Compound ID |
CP0917398
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-chlorophenyl)-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C27H37Cl6N5O2
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| Molecular Weight |
676.344
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C27H33Cl2N5O2.4ClH/c1-3-5-26-31-24(18-34(26)21-10-8-20(28)9-11-21)27(36)30-16-22(35)17-32-12-14-33(15-13-32)25-7-4-6-23(29)19(25)2;;;;/h4,6-11,18,22,35H,3,5,12-17H2,1-2H3,(H,30,36);4*1H
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| InChIKey |
HGXGPKMUSUJSBG-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