General Information of the Compound
| Compound ID |
CP0443435
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| Compound Name |
8-(4-hydroxyphenyl)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C23H23NO2
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| Molecular Weight |
345.442
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| Canonical SMILES |
CN1CCc2cc(c(O)cc2C(C1)c1ccccc1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C23H23NO2/c1-24-12-11-18-13-21(17-7-9-19(25)10-8-17)23(26)14-20(18)22(15-24)16-5-3-2-4-6-16/h2-10,13-14,22,25-26H,11-12,15H2,1H3
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| InChIKey |
MQNXSZOCUGNTGM-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