General Information of the Compound
| Compound ID |
CP0403385
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| Compound Name |
3,6-dimethyl-3,4,5,6,7,9,13,14-octahydro[3,2-g]azecine
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| Structure |
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| Formula |
C19H23N3
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| Molecular Weight |
293.414
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| Canonical SMILES |
CN1CCc2c(Cc3[nH]c4ccccc4c3CC1)ccn2C
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| InChI |
InChI=1S/C19H23N3/c1-21-10-8-16-15-5-3-4-6-17(15)20-18(16)13-14-7-12-22(2)19(14)9-11-21/h3-7,12,20H,8-11,13H2,1-2H3
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| InChIKey |
OAZSHGRDDGNHHT-UHFFFAOYSA-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor