General Information of the Compound
| Compound ID |
CP0371976
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| Compound Name |
(3E)-3-(2-chlorothioxanthen-9-ylidene)-N-methyl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
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| Structure |
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| Formula |
C32H37ClN2OS
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| Molecular Weight |
533.181
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| Canonical SMILES |
CN(CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C32H37ClN2OS/c1-34(24-25-12-15-27(16-13-25)36-22-8-21-35-19-5-2-6-20-35)18-7-10-28-29-9-3-4-11-31(29)37-32-17-14-26(33)23-30(28)32/h3-4,9-17,23H,2,5-8,18-22,24H2,1H3/b28-10+
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| InChIKey |
DSRXHDAICZGTCK-ORBVJSQLSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor