General Information of the Compound
| Compound ID |
CP0057703
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| Compound Name |
N-[2-(4-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-5-yl)ethyl]-2-methoxy-5-methylbenzamide
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1ccc(C)cc1C(=O)NCCN1C2C3C4C5C3C1(O)C1C5CC4C21
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| InChI |
InChI=1S/C22H26N2O3/c1-9-3-4-13(27-2)10(7-9)21(25)23-5-6-24-20-16-11-8-12-15-14(11)17(20)19(15)22(24,26)18(12)16/h3-4,7,11-12,14-20,26H,5-6,8H2,1-2H3,(H,23,25)
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| InChIKey |
ZOAKYUHDXICZSY-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