General Information of the Compound
| Compound ID |
CP0393522
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| Compound Name |
(6aR,12bS)-2-Butyl-5,6,6a,7,8,12b-hexahydro-4,6-diaza-benzo[c]phenanthrene-10,11-diol
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
CCCCc1cnc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
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| InChI |
InChI=1S/C20H24N2O2/c1-2-3-4-12-7-15-17(21-10-12)11-22-16-6-5-13-8-18(23)19(24)9-14(13)20(15)16/h7-10,16,20,22-24H,2-6,11H2,1H3/t16-,20+/m1/s1
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| InChIKey |
LEWWBJBGGUZKQX-UZLBHIALSA-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