General Information of the Compound
| Compound ID |
CP0509741
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-3-methylbutanamide
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| Structure |
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| Formula |
C21H22FN5O3
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| Molecular Weight |
411.437
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| Canonical SMILES |
CC(C)CC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1
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| InChI |
InChI=1S/C21H22FN5O3/c1-13(2)9-20(28)27(12-14-3-6-18-19(10-14)30-8-7-29-18)17-11-15(4-5-16(17)22)21-23-25-26-24-21/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
GWHXFBFDFKAYAV-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