General Information of the Compound
| Compound ID |
CP0410742
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| Compound Name |
1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C30H33N5O
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| Molecular Weight |
479.628
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc-3c(Cc4ccccc-34)c2)CC1
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| InChI |
InChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3
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| InChIKey |
HCHRWGMYPOWUFG-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