General Information of the Compound
| Compound ID |
CP0914752
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| Compound Name |
5-(4-Chlorophenyl)-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-2-methyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H28Cl4N4O
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| Molecular Weight |
542.338
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| Canonical SMILES |
Cc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
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| InChI |
InChI=1S/C25H27Cl3N4O.ClH/c1-17-20(16-22(30-17)18-6-8-19(26)9-7-18)25(33)29-10-3-11-31-12-14-32(15-13-31)23-5-2-4-21(27)24(23)28;/h2,4-9,16,30H,3,10-15H2,1H3,(H,29,33);1H
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| InChIKey |
XKJNEXXERPZSTJ-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