General Information of the Compound
| Compound ID |
CP0422279
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| Compound Name |
5-methyl-1-phenyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-5-ium
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| Structure |
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| Formula |
C22H25N2+
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| Molecular Weight |
317.456
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| Canonical SMILES |
C[N+]12CCCC(C1c1[nH]c3ccccc3c1CC2)c1ccccc1
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| InChI |
InChI=1S/C22H25N2/c1-24-14-7-11-17(16-8-3-2-4-9-16)22(24)21-19(13-15-24)18-10-5-6-12-20(18)23-21/h2-6,8-10,12,17,22-23H,7,11,13-15H2,1H3/q+1
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| InChIKey |
LZMVFVZIXDUMSW-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