General Information of the Compound
| Compound ID |
CP0442541
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| Compound Name |
12b-phenyl-1,2,3,4,6,7,12,12b-octahydroindolo-[2,3-a]quinolizine
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| Structure |
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| Formula |
C21H22N2
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| Molecular Weight |
302.421
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| Canonical SMILES |
C1CCC2(N(C1)CCc1c2[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C21H22N2/c1-2-8-16(9-3-1)21-13-6-7-14-23(21)15-12-18-17-10-4-5-11-19(17)22-20(18)21/h1-5,8-11,22H,6-7,12-15H2
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| InChIKey |
WAEHSRNKOQVNHT-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