General Information of the Compound
| Compound ID |
CP0435187
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| Compound Name |
N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C26H26N6O
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| Molecular Weight |
438.535
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(C)ccc2o1
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| InChI |
InChI=1S/C26H26N6O/c1-3-4-15-32(26-27-23-16-18(2)9-14-24(23)33-26)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)25-28-30-31-29-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,29,30,31)
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| InChIKey |
AWLAWBNOZKJSML-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