General Information of the Compound
| Compound ID |
CP0853010
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(2-fluorophenyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C25H32Cl6FN5O2
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| Molecular Weight |
666.28
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| Canonical SMILES |
Cc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C25H28Cl2FN5O2.4ClH/c1-16-24(30-17(2)33(16)21-8-4-3-7-20(21)28)25(35)29-14-18(34)15-31-10-12-32(13-11-31)22-9-5-6-19(26)23(22)27;;;;/h3-9,18,34H,10-15H2,1-2H3,(H,29,35);4*1H
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| InChIKey |
WVAPBKRVGSEBBR-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