General Information of the Compound
| Compound ID |
CP0542406
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C19H18FN5O3
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| Molecular Weight |
383.383
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| Canonical SMILES |
CCC(=O)N(Cc1ccc2OCCOc2c1)c1cc(ccc1F)-c1nnn[nH]1
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| InChI |
InChI=1S/C19H18FN5O3/c1-2-18(26)25(11-12-3-6-16-17(9-12)28-8-7-27-16)15-10-13(4-5-14(15)20)19-21-23-24-22-19/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22,23,24)
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| InChIKey |
HYVDOCLQRXISCM-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