General Information of the Compound
| Compound ID |
CP0883761
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| Compound Name |
(2S,4aR,10bR)-2-(4-hydroxyphenyl)-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-8,9-diol hydrobromide
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| Structure |
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| Formula |
C22H28BrNO3
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| Molecular Weight |
434.374
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| Canonical SMILES |
Br.CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21
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| InChI |
InChI=1S/C22H27NO3.BrH/c1-2-9-23-13-16(14-3-6-17(24)7-4-14)10-19-18-12-22(26)21(25)11-15(18)5-8-20(19)23;/h3-4,6-7,11-12,16,19-20,24-26H,2,5,8-10,13H2,1H3;1H/t16-,19-,20-;/m1./s1
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| InChIKey |
SCPZZHOBAUELHR-GJYOXNSLSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor