General Information of the Compound
| Compound ID |
CP0372470
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| Compound Name |
5-(4-Chlorophenyl)-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C26H29Cl3N4O
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| Molecular Weight |
519.904
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| Canonical SMILES |
Cc1c(cc(-c2ccc(Cl)cc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H29Cl3N4O/c1-18-21(17-24(31(18)2)19-7-9-20(27)10-8-19)26(34)30-11-4-12-32-13-15-33(16-14-32)23-6-3-5-22(28)25(23)29/h3,5-10,17H,4,11-16H2,1-2H3,(H,30,34)
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| InChIKey |
CJPJTYFLNNQHDT-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