General Information of the Compound
| Compound ID |
CP0491810
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| Compound Name |
(4aS,10bS)-4-(2-(4-phenylpiperazin-1-yl)ethyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-9-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 |
Oc1ccc2CC[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H33N3O/c29-22-10-8-20-9-11-25-23(24(20)19-22)7-4-12-28(25)18-15-26-13-16-27(17-14-26)21-5-2-1-3-6-21/h1-3,5-6,8,10,19,23,25,29H,4,7,9,11-18H2/t23-,25-/m0/s1
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| InChIKey |
KNPPDPMAXUBRQJ-ZCYQVOJMSA-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