General Information of the Compound
| Compound ID |
CP0857136
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| Compound Name |
6-acetyl-4,7-dimethyl-5-{4-[4-(4-chlorophenyl)piperazin-1-yl]butoxy}coumarin
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCCN1CCN(c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H31ClN2O4/c1-18-16-23-26(19(2)17-24(32)34-23)27(25(18)20(3)31)33-15-5-4-10-29-11-13-30(14-12-29)22-8-6-21(28)7-9-22/h6-9,16-17H,4-5,10-15H2,1-3H3
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| InChIKey |
LEBKRFQNGFTBMY-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