General Information of the Compound
| Compound ID |
CP0035276
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| Compound Name |
1-(4-fluorophenyl)-4-(4-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-5-yl)butan-1-one
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| Structure |
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| Formula |
C21H22FNO2
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| Molecular Weight |
339.41
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| Canonical SMILES |
OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H22FNO2/c22-10-5-3-9(4-6-10)13(24)2-1-7-23-20-16-11-8-12-15-14(11)17(20)19(15)21(23,25)18(12)16/h3-6,11-12,14-20,25H,1-2,7-8H2
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| InChIKey |
HJKLOGARPBXZTP-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor