General Information of the Compound
| Compound ID |
CP0470516
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
CCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H21N5O3/c1-2-4-19(26)25(13-14-7-8-17-18(11-14)28-10-9-27-17)16-6-3-5-15(12-16)20-21-23-24-22-20/h3,5-8,11-12H,2,4,9-10,13H2,1H3,(H,21,22,23,24)
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| InChIKey |
QCQLPXPTQFNNST-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