General Information of the Compound
| Compound ID |
CP0395381
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| Compound Name |
CHEMBL78800
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| Formula |
C23H30ClN3OS
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| Molecular Weight |
432.033
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| Canonical SMILES |
Clc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1
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| InChI |
InChI=1S/C23H30ClN3OS/c24-20-4-1-2-5-21(20)27-15-13-26(14-16-27)12-11-18-7-9-19(10-8-18)25-23(28)22-6-3-17-29-22/h1-6,17-19H,7-16H2,(H,25,28)/t18-,19-
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| InChIKey |
GBBXKCGHLOWKFM-WGSAOQKQSA-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