General Information of the Compound
| Compound ID |
CP0428158
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| Compound Name |
(+)-N6-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
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| Synonyms |
(-)-N6-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
BDBM50261279
CHEMBL468017
D-219
N6-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiaxole-2,6-diamine
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| Structure |
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| Formula |
C22H31Cl2N5S
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| Molecular Weight |
468.498
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1cccc(Cl)c1Cl)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C22H31Cl2N5S/c1-2-8-28(16-6-7-18-20(15-16)30-22(25)26-18)12-9-27-10-13-29(14-11-27)19-5-3-4-17(23)21(19)24/h3-5,16H,2,6-15H2,1H3,(H2,25,26)
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| InChIKey |
MTSRJJUOIYINNP-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Clinical Information about the Compound