General Information of the Compound
| Compound ID |
CP0554744
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| Compound Name |
N-(pyridin-4-ylmethyl)-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 |
C27H21N7O
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| Molecular Weight |
459.513
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| Canonical SMILES |
C(N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1)c1ccncc1
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| InChI |
InChI=1S/C27H21N7O/c1-2-6-23(26-30-32-33-31-26)22(5-1)21-11-9-19(10-12-21)17-34(18-20-13-15-28-16-14-20)27-29-24-7-3-4-8-25(24)35-27/h1-16H,17-18H2,(H,30,31,32,33)
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| InChIKey |
VHPIVYWHDCPOSX-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