General Information of the Compound
| Compound ID |
CP0392739
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| Compound Name |
(6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-3,6-diaza-benzo[c]phenanthrene-10,11-diol
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| Structure |
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| Formula |
C16H16N2O2
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| Molecular Weight |
268.316
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| Canonical SMILES |
Oc1cc2CC[C@H]3NCc4cnccc4[C@@H]3c2cc1O
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| InChI |
InChI=1S/C16H16N2O2/c19-14-5-9-1-2-13-16(12(9)6-15(14)20)11-3-4-17-7-10(11)8-18-13/h3-7,13,16,18-20H,1-2,8H2/t13-,16-/m1/s1
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| InChIKey |
USNRFQBPPPITNX-CZUORRHYSA-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