General Information of the Compound
| Compound ID |
CP0491813
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| Compound Name |
(+/-)-trans-1-{2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl}-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-8-ol
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| Structure |
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| Formula |
C25H31Cl2N3O
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| Molecular Weight |
460.449
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| Canonical SMILES |
Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4cccc(Cl)c4Cl)[C@H]3Cc2c1
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| InChI |
InChI=1S/C25H31Cl2N3O/c26-22-4-1-5-23(25(22)27)30-13-10-28(11-14-30)9-12-29-8-2-3-19-15-18-6-7-21(31)16-20(18)17-24(19)29/h1,4-7,16,19,24,31H,2-3,8-15,17H2/t19-,24-/m0/s1
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| InChIKey |
WHAZETDLHOXKNK-CYFREDJKSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor