General Information of the Compound
| Compound ID |
CP0164937
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| Compound Name |
N-[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C22H19F6NO3
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| Molecular Weight |
459.386
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| Canonical SMILES |
COc1ccc2oc(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C22H19F6NO3/c1-12(30)29-6-5-17-18-11-16(31-2)3-4-19(18)32-20(17)9-13-7-14(21(23,24)25)10-15(8-13)22(26,27)28/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,29,30)
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| InChIKey |
MSLSZDOXNFKNFC-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B