General Information of the Compound
| Compound ID |
CP0455784
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| Compound Name |
(10R)-10-(methylamino)-3-[4-(4-phenylbutoxy)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 |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCCCOCCCCc4ccccc4)c(=O)n(C1)c23
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| InChI |
InChI=1S/C25H33N3O2/c1-26-22-18-21-13-9-14-23-24(21)28(19-22)25(29)27(23)15-6-8-17-30-16-7-5-12-20-10-3-2-4-11-20/h2-4,9-11,13-14,22,26H,5-8,12,15-19H2,1H3/t22-/m1/s1
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| InChIKey |
WALQYBLEMBEYFX-JOCHJYFZSA-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
Protein ID: PT00943, D(3) dopamine receptor