General Information of the Compound
| Compound ID |
CP0126862
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| Compound Name |
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
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| Structure |
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| Formula |
C24H23FN4
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| Molecular Weight |
386.474
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| Canonical SMILES |
CN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)-c1cncnc1
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| InChI |
InChI=1S/C24H23FN4/c1-28-10-8-17(9-11-28)23-15-29(21-5-3-20(25)4-6-21)24-7-2-18(12-22(23)24)19-13-26-16-27-14-19/h2-7,12-17H,8-11H2,1H3
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| InChIKey |
WAWSGWZTHJAPIA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01849, Alpha-1B adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor