General Information of the Compound
| Compound ID |
CP0509156
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| Compound Name |
7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
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| Structure |
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| Formula |
C18H18N2O
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| Molecular Weight |
278.355
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| Canonical SMILES |
CN1CCc2cc3ocnc3cc2C(C1)c1ccccc1
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| InChI |
InChI=1S/C18H18N2O/c1-20-8-7-14-9-18-17(19-12-21-18)10-15(14)16(11-20)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3
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| InChIKey |
OBHRXPIOBQKIDU-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