General Information of the Compound
| Compound ID |
CP0401191
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| Compound Name |
(10R)-3-propyl-10-(propylamino)-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 |
C16H23N3O
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| Molecular Weight |
273.38
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| Canonical SMILES |
CCCN[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23
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| InChI |
InChI=1S/C16H23N3O/c1-3-8-17-13-10-12-6-5-7-14-15(12)19(11-13)16(20)18(14)9-4-2/h5-7,13,17H,3-4,8-11H2,1-2H3/t13-/m1/s1
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| InChIKey |
FHJKGVBVLIXGIQ-CYBMUJFWSA-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