General Information of the Compound
| Compound ID |
CP0050044
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| Compound Name |
2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C25H29FN2O2
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| Molecular Weight |
408.517
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C25H29FN2O2/c26-22-9-7-19(8-10-22)24(29)6-3-12-27-14-16-28(17-15-27)13-11-21-18-20-4-1-2-5-23(20)25(21)30/h1-2,4-5,7-10,21H,3,6,11-18H2
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| InChIKey |
ZOXIJGNVMSVOEF-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C