General Information of the Compound
| Compound ID |
CP0495117
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| Compound Name |
(6aR,12bS)-4-Methyl-5,6,6a,7,8,12b-hexahydro-2,6-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 |
Cc1cncc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
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| InChI |
InChI=1S/C17H18N2O2/c1-9-6-18-7-13-12(9)8-19-14-3-2-10-4-15(20)16(21)5-11(10)17(13)14/h4-7,14,17,19-21H,2-3,8H2,1H3/t14-,17+/m1/s1
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| InChIKey |
AUENKTRXUKDSTC-PBHICJAKSA-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