General Information of the Compound
| Compound ID |
CP0529799
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| Compound Name |
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-iodo-2,3-dimethoxybenzamide
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| Structure |
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| Formula |
C24H29IN2O3
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| Molecular Weight |
520.411
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| Canonical SMILES |
COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC
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| InChI |
InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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| InChIKey |
RLMCMXONOFRGMR-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor