General Information of the Compound
| Compound ID |
CP0410751
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| Compound Name |
4-[4-(9H-fluoren-2-yl)triazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-ol
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| Structure |
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| Formula |
C30H33N5O2
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| Molecular Weight |
495.627
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
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| InChI |
InChI=1S/C30H33N5O2/c1-37-30-9-5-4-8-29(30)34-16-14-33(15-17-34)20-25(36)12-13-35-21-28(31-32-35)23-10-11-27-24(19-23)18-22-6-2-3-7-26(22)27/h2-11,19,21,25,36H,12-18,20H2,1H3
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| InChIKey |
ZDGYKEJTDUCVRG-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
Protein ID: PT01161, D(4) dopamine receptor