General Information of the Compound
| Compound ID |
CP0470517
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| Compound Name |
N-[2,4-difluoro-5-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentanamide
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| Structure |
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| Formula |
C21H21F2N5O3
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| Molecular Weight |
429.427
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(-c2nnn[nH]2)c(F)cc1F
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| InChI |
InChI=1S/C21H21F2N5O3/c1-2-3-4-20(29)28(12-13-5-6-18-19(9-13)31-8-7-30-18)17-10-14(15(22)11-16(17)23)21-24-26-27-25-21/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,24,25,26,27)
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| InChIKey |
PISJIJQNLKMIQY-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