General Information of the Compound
| Compound ID |
CP0919599
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-fluorophenyl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C27H36Cl6FN5O2
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| Molecular Weight |
694.334
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(F)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C27H32Cl2FN5O2.4ClH/c1-3-5-24-32-26(18(2)35(24)20-10-8-19(30)9-11-20)27(37)31-16-21(36)17-33-12-14-34(15-13-33)23-7-4-6-22(28)25(23)29;;;;/h4,6-11,21,36H,3,5,12-17H2,1-2H3,(H,31,37);4*1H
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| InChIKey |
CXILCPZOTOWUEG-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