General Information of the Compound
| Compound ID |
CP0530690
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| Compound Name |
7-methyl-2-(4-methylpiperazin-1-yl)-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 |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
CN1CCN(CC1)c1nc2cc3C(CN(C)CCc3cc2o1)c1ccccc1
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| InChI |
InChI=1S/C23H28N4O/c1-25-10-12-27(13-11-25)23-24-21-15-19-18(14-22(21)28-23)8-9-26(2)16-20(19)17-6-4-3-5-7-17/h3-7,14-15,20H,8-13,16H2,1-2H3
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| InChIKey |
CQGFBLASKNNFBS-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