General Information of the Compound
| Compound ID |
CP0392147
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| Compound Name |
3,6-dimethyl-4,5,6,7,8,13-hexahydro-3H-pyrrolo[2,3-f][3]benzazecine
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| Structure |
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| Formula |
C17H22N2
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| Molecular Weight |
254.377
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| Canonical SMILES |
CN1CCc2c(Cc3ccccc3CC1)ccn2C
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| InChI |
InChI=1S/C17H22N2/c1-18-10-7-14-5-3-4-6-15(14)13-16-8-12-19(2)17(16)9-11-18/h3-6,8,12H,7,9-11,13H2,1-2H3
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| InChIKey |
KUEQQBRCJDOEEZ-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
Protein ID: PT01161, D(4) dopamine receptor