General Information of the Compound
| Compound ID |
CP0147752
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| Compound Name |
1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine
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| Structure |
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| Formula |
C19H21ClN2S
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| Molecular Weight |
344.911
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| Canonical SMILES |
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
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| InChI |
InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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| InChIKey |
XRYLGRGAWQSVQW-QGZVFWFLSA-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: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor