General Information of the Compound
| Compound ID |
CP0861034
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| Compound Name |
5-tert-Butyl-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 |
C23H33Cl3N4O
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| Molecular Weight |
487.903
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| Canonical SMILES |
Cc1[nH]c(C(C)(C)C)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
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| InChI |
InChI=1S/C23H32Cl2N4O.ClH/c1-16-17(15-20(27-16)23(2,3)4)22(30)26-9-6-10-28-11-13-29(14-12-28)19-8-5-7-18(24)21(19)25;/h5,7-8,15,27H,6,9-14H2,1-4H3,(H,26,30);1H
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| InChIKey |
VICDGQQXZAXNJE-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