General Information of the Compound
| Compound ID |
CP0508623
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| Compound Name |
N-[4-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C27H34N4OS
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| Molecular Weight |
462.663
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C27H34N4OS/c1-2-17-31(23-14-15-24-25(19-23)33-27(28)30-24)18-7-6-16-29-26(32)22-12-10-21(11-13-22)20-8-4-3-5-9-20/h3-5,8-13,23H,2,6-7,14-19H2,1H3,(H2,28,30)(H,29,32)
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| InChIKey |
YDIIMEYIGWYMMA-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