General Information of the Compound
| Compound ID |
CP0428163
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| Compound Name |
6-N-[4-(4-phenylpiperazin-1-yl)butyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
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| Synonyms |
BDBM50261280
CHEMBL468022
D-203
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| Structure |
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| Formula |
C24H37N5S
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| Molecular Weight |
427.662
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| Canonical SMILES |
CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C24H37N5S/c1-2-12-28(21-10-11-22-23(19-21)30-24(25)26-22)14-7-6-13-27-15-17-29(18-16-27)20-8-4-3-5-9-20/h3-5,8-9,21H,2,6-7,10-19H2,1H3,(H2,25,26)
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| InChIKey |
AHNMVVBJGPOWFW-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Clinical Information about the Compound