General Information of the Compound
| Compound ID |
CP0410525
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| Compound Name |
3-methyl-5-phenyl-8-pyrrol-1-yl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
CN1CCc2cc(c(O)cc2C(C1)c1ccccc1)-n1cccc1
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| InChI |
InChI=1S/C21H22N2O/c1-22-12-9-17-13-20(23-10-5-6-11-23)21(24)14-18(17)19(15-22)16-7-3-2-4-8-16/h2-8,10-11,13-14,19,24H,9,12,15H2,1H3
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| InChIKey |
YJBSIECJUNJUGX-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