General Information of the Compound
| Compound ID |
CP0871166
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| Compound Name |
(R)-N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C31H36Cl4FN5O2
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| Molecular Weight |
671.472
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(C[C@H](O)CNC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C31H33ClFN5O2.3ClH/c1-21-27(32)9-6-10-28(21)37-17-15-36(16-18-37)20-26(39)19-34-31(40)29-22(2)38(25-13-11-24(33)12-14-25)30(35-29)23-7-4-3-5-8-23;;;/h3-14,26,39H,15-20H2,1-2H3,(H,34,40);3*1H/t26-;;;/m1.../s1
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| InChIKey |
VQYKDNMXSRRZHV-VJURXQOVSA-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