General Information of the Compound
| Compound ID |
CP0429952
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| Compound Name |
(6aR,14bS)-5,6,6a,7,8,10,11,12,13,14b-Decahydro-7,9-diaza-naphtho[1,2-a]anthracene-2,3-diol
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
Oc1cc2CC[C@H]3NCc4nc5CCCCc5cc4[C@@H]3c2cc1O
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| InChI |
InChI=1S/C20H22N2O2/c23-18-8-11-5-6-16-20(13(11)9-19(18)24)14-7-12-3-1-2-4-15(12)22-17(14)10-21-16/h7-9,16,20-21,23-24H,1-6,10H2/t16-,20+/m1/s1
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| InChIKey |
BDRPLVMDSVQGDO-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