General Information of the Compound
| Compound ID |
CP0491812
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| Compound Name |
(+)-(4aR,10aR)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,2,3,4,4a,5,6,10b-octa-hydrobenzo[f]quinolin-7-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 |
Oc1cccc2[C@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@@H]3CCc12
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| InChI |
InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m1/s1
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| InChIKey |
QQRPTUXXSDJYLW-ISKFKSNPSA-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