General Information of the Compound
| Compound ID |
CP0383485
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| Compound Name |
4-(2-Benzylamino-ethoxy)-6-chloro-1,3-dihydro-benzoimidazole-2-thione
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| Structure |
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| Formula |
C16H16ClN3OS
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| Molecular Weight |
333.844
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| Canonical SMILES |
Clc1cc(OCCNCc2ccccc2)c2[nH]c(=S)[nH]c2c1
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| InChI |
InChI=1S/C16H16ClN3OS/c17-12-8-13-15(20-16(22)19-13)14(9-12)21-7-6-18-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H2,19,20,22)
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| InChIKey |
HMFWWORRYDWEDS-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
Protein ID: PT01161, D(4) dopamine receptor