General Information of the Compound
| Compound ID |
CP0400239
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| Compound Name |
3-methyl-8-(2-methylphenyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C24H25NO
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| Molecular Weight |
343.47
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| Canonical SMILES |
CN1CCc2cc(c(O)cc2C(C1)c1ccccc1)-c1ccccc1C
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| InChI |
InChI=1S/C24H25NO/c1-17-8-6-7-11-20(17)22-14-19-12-13-25(2)16-23(21(19)15-24(22)26)18-9-4-3-5-10-18/h3-11,14-15,23,26H,12-13,16H2,1-2H3
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| InChIKey |
XPPRXZLCSISYMO-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: PT01005, D(2) dopamine receptor