General Information of the Compound
| Compound ID |
CP0443434
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| Compound Name |
8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C24H26N2O
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| Molecular Weight |
358.485
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| Canonical SMILES |
CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1
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| InChI |
InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3
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| InChIKey |
CIGXEMMADCNHCG-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor