General Information of the Compound
| Compound ID |
CP0432721
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| Compound Name |
(10R)-10-(methylamino)-3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C24H28N4O3/c1-25-18-13-17-5-4-6-21-23(17)28(15-18)24(30)27(21)11-2-3-12-31-19-9-7-16-8-10-22(29)26-20(16)14-19/h4-7,9,14,18,25H,2-3,8,10-13,15H2,1H3,(H,26,29)/t18-/m1/s1
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| InChIKey |
ZJCPSCHGZIVAIV-GOSISDBHSA-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: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor