General Information of the Compound
Compound ID |
CP0442562
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Compound Name |
3-methyl-7-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-azecino[5,4-b]indole
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Structure |
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Formula |
C22H26N2
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Molecular Weight |
318.464
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Canonical SMILES |
CN1CCCC(Cc2[nH]c3ccccc3c2CC1)c1ccccc1
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InChI |
InChI=1S/C22H26N2/c1-24-14-7-10-18(17-8-3-2-4-9-17)16-22-20(13-15-24)19-11-5-6-12-21(19)23-22/h2-6,8-9,11-12,18,23H,7,10,13-16H2,1H3
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InChIKey |
FSJRHAHONPJFLQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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