General Information of the Compound
| Compound ID |
CP0685158
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| Compound Name |
4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3,6-tetrahydro-pyridine hydrochloride
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| Structure |
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| Formula |
C22H24ClN
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| Molecular Weight |
337.894
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| Canonical SMILES |
CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1.Cl
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| InChI |
InChI=1S/C22H23N.ClH/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22;/h3-11,16H,2,12-15H2,1H3;1H
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| InChIKey |
XPDHGJYTXAZJOI-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor