General Information of the Compound
| Compound ID |
CP0912475
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| Compound Name |
5-(4-Chlorophenyl)-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-1-ethyl-2-methyl-1H-pyrrole-3-carboxamidehydrochloride
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| Structure |
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| Formula |
C27H32Cl4N4O
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| Molecular Weight |
570.392
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| Canonical SMILES |
CCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl
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| InChI |
InChI=1S/C27H31Cl3N4O.ClH/c1-3-34-19(2)22(18-25(34)20-8-10-21(28)11-9-20)27(35)31-12-5-13-32-14-16-33(17-15-32)24-7-4-6-23(29)26(24)30;/h4,6-11,18H,3,5,12-17H2,1-2H3,(H,31,35);1H
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| InChIKey |
HXWJMEWLVNOYQC-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