General Information of the Compound
| Compound ID |
CP0373644
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| Compound Name |
(6aR,12bS)-3-Methoxy-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 |
C17H18N2O3
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| Molecular Weight |
298.342
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| Canonical SMILES |
COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
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| InChI |
InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1
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| InChIKey |
IBBZFQYJQGDOGF-SJKOYZFVSA-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