General Information of the Compound
| Compound ID |
CP0042204
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| Compound Name |
1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C23H26Cl2N4O
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| Molecular Weight |
445.394
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
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| InChI |
InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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| InChIKey |
WIYPXJWKJSYBKF-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor