General Information of the Compound
| Compound ID |
CP0487362
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| Compound Name |
N-(1-benzothiophen-3-ylmethyl)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-propylbutan-1-amine
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| Structure |
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| Formula |
C26H33Cl2N3S
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| Molecular Weight |
490.544
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| Canonical SMILES |
CCCN(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1csc2ccccc12
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| InChI |
InChI=1S/C26H33Cl2N3S/c1-2-12-30(19-21-20-32-25-11-4-3-8-22(21)25)14-6-5-13-29-15-17-31(18-16-29)24-10-7-9-23(27)26(24)28/h3-4,7-11,20H,2,5-6,12-19H2,1H3
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| InChIKey |
JHMYLCCZLFZGNF-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