General Information of the Compound
| Compound ID |
CP0852532
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| Compound Name |
6-acetyl-4,7-dimethyl-5-{3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy}coumarin
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| Structure |
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| Formula |
C26H29FN2O4
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| Molecular Weight |
452.526
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| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2ccccc2F)CC1
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| InChI |
InChI=1S/C26H29FN2O4/c1-17-15-22-25(18(2)16-23(31)33-22)26(24(17)19(3)30)32-14-6-9-28-10-12-29(13-11-28)21-8-5-4-7-20(21)27/h4-5,7-8,15-16H,6,9-14H2,1-3H3
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| InChIKey |
NGEAUSNALPHRGM-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A