General Information of the Compound
| Compound ID |
CP0533598
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| Compound Name |
N-butyl-N-[cyclopropyl-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C28H28N6O
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| Molecular Weight |
464.573
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| Canonical SMILES |
CCCCN(C(C1CC1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C28H28N6O/c1-2-3-18-34(28-29-24-10-6-7-11-25(24)35-28)26(21-16-17-21)20-14-12-19(13-15-20)22-8-4-5-9-23(22)27-30-32-33-31-27/h4-15,21,26H,2-3,16-18H2,1H3,(H,30,31,32,33)
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| InChIKey |
XJAWLCUWSGXKIE-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