General Information of the Compound
| Compound ID |
CP0534272
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| Compound Name |
N-butyl-N-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]propan-2-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C27H28N6O
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| Molecular Weight |
452.562
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| Canonical SMILES |
CCCCN(c1nc2ccccc2o1)C(C)(C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C27H28N6O/c1-4-5-18-33(26-28-23-12-8-9-13-24(23)34-26)27(2,3)20-16-14-19(15-17-20)21-10-6-7-11-22(21)25-29-31-32-30-25/h6-17H,4-5,18H2,1-3H3,(H,29,30,31,32)
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| InChIKey |
YDVKDKYOZYNELY-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