General Information of the Compound
| Compound ID |
CP0398936
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| Compound Name |
(10R)-3-butyl-10-(methylamino)-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 |
C15H21N3O
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| Molecular Weight |
259.353
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| Canonical SMILES |
CCCCn1c2cccc3C[C@H](Cn(c23)c1=O)NC
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| InChI |
InChI=1S/C15H21N3O/c1-3-4-8-17-13-7-5-6-11-9-12(16-2)10-18(14(11)13)15(17)19/h5-7,12,16H,3-4,8-10H2,1-2H3/t12-/m1/s1
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| InChIKey |
OCDNUTCRNXSKHR-GFCCVEGCSA-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
Cell-based Assay