General Information of the Compound
| Compound ID |
CP0383446
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| Compound Name |
(6aR,12bS)-2-Methyl-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 |
C17H18N2O2
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| Molecular Weight |
282.343
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| Canonical SMILES |
Cc1cnc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
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| InChI |
InChI=1S/C17H18N2O2/c1-9-4-12-14(18-7-9)8-19-13-3-2-10-5-15(20)16(21)6-11(10)17(12)13/h4-7,13,17,19-21H,2-3,8H2,1H3/t13-,17+/m1/s1
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| InChIKey |
OTRPXYDXEWMYIL-DYVFJYSZSA-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