General Information of the Compound
| Compound ID |
CP0372788
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| Compound Name |
(+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-6-ol
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| Structure |
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| Formula |
C25H33N3O
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| Molecular Weight |
391.559
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| Canonical SMILES |
Oc1cccc2C[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)Cc12
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| InChI |
InChI=1S/C25H33N3O/c29-25-10-4-6-20-19-24-21(18-23(20)25)7-5-11-28(24)17-14-26-12-15-27(16-13-26)22-8-2-1-3-9-22/h1-4,6,8-10,21,24,29H,5,7,11-19H2/t21-,24-/m0/s1
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| InChIKey |
BDSPUJFGSUKYBJ-URXFXBBRSA-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