General Information of the Compound
| Compound ID |
CP0435182
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| Compound Name |
methyl 2-[2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-benzoxazol-5-yl]acetate
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CC(=O)OC)ccc2o1
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| InChI |
InChI=1S/C28H28N6O3/c1-3-4-15-34(28-29-24-16-20(17-26(35)36-2)11-14-25(24)37-28)18-19-9-12-21(13-10-19)22-7-5-6-8-23(22)27-30-32-33-31-27/h5-14,16H,3-4,15,17-18H2,1-2H3,(H,30,31,32,33)
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| InChIKey |
ONDKMHVLMLPZCK-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