General Information of the Compound
| Compound ID |
CP0395314
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| Compound Name |
8-chloro-11-[4-(3-trifluoromethoxy-benzyl)-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
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| Structure |
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| Formula |
C25H22ClF3N4O
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| Molecular Weight |
486.925
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| Canonical SMILES |
FC(F)(F)Oc1cccc(CN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)c1
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| InChI |
InChI=1S/C25H22ClF3N4O/c26-18-8-9-22-23(15-18)31-24(20-6-1-2-7-21(20)30-22)33-12-10-32(11-13-33)16-17-4-3-5-19(14-17)34-25(27,28)29/h1-9,14-15,30H,10-13,16H2
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| InChIKey |
YUCDETMUXOUYBI-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor