General Information of the Compound
| Compound ID |
CP0541816
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| Compound Name |
9-butyl-3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C20H32N2O
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| Molecular Weight |
316.489
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| Canonical SMILES |
CCCCN1CCC2(CC1)CCN(CC2)c1ccccc1OC
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| InChI |
InChI=1S/C20H32N2O/c1-3-4-13-21-14-9-20(10-15-21)11-16-22(17-12-20)18-7-5-6-8-19(18)23-2/h5-8H,3-4,9-17H2,1-2H3
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| InChIKey |
PGUHEGODMQZTBX-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor