General Information of the Compound
| Compound ID |
CP0453132
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| Compound Name |
6-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-N-prop-2-ynyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
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| Synonyms |
BDBM50261302
CHEMBL513352
D-218
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| Structure |
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| Formula |
C23H31N5OS
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| Molecular Weight |
425.602
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(CC#C)C2CCc3nc(N)sc3C2)CC1
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| InChI |
InChI=1S/C23H31N5OS/c1-3-10-27(18-8-9-19-22(17-18)30-23(24)25-19)14-11-26-12-15-28(16-13-26)20-6-4-5-7-21(20)29-2/h1,4-7,18H,8-17H2,2H3,(H2,24,25)
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| InChIKey |
GUCAXHFLECNGRL-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