General Information of the Compound
| Compound ID |
CP0917330
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-5-methyl-1-phenyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C28H39Cl4N5O2
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| Molecular Weight |
619.465
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1.Cl.Cl.Cl
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| InChI |
InChI=1S/C28H36ClN5O2.3ClH/c1-4-9-26-31-27(21(3)34(26)22-10-6-5-7-11-22)28(36)30-18-23(35)19-32-14-16-33(17-15-32)25-13-8-12-24(29)20(25)2;;;/h5-8,10-13,23,35H,4,9,14-19H2,1-3H3,(H,30,36);3*1H
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| InChIKey |
PJIFNDKPRTUYSL-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