General Information of the Compound
| Compound ID |
CP0167369
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| Compound Name |
N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-9H-fluorene-2-carboxamide
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
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| InChI |
InChI=1S/C29H31N3O2/c1-34-28-11-5-4-10-27(28)32-18-16-31(17-19-32)15-7-6-14-30-29(33)23-12-13-26-24(21-23)20-22-8-2-3-9-25(22)26/h2-13,21H,14-20H2,1H3,(H,30,33)/b7-6+
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| InChIKey |
UUYDEYACQFNFMI-VOTSOKGWSA-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