General Information of the Compound
| Compound ID |
CP0955326
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| Compound Name |
(R)-N-butyl-N-{1-[3'-chloro-2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}benzo[d]oxazol-2-amine
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| Formula |
C26H25ClN6O
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| Molecular Weight |
472.98
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| Canonical SMILES |
CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2cccc(Cl)c2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C26H25ClN6O/c1-3-4-16-33(26-28-22-10-5-6-11-23(22)34-26)17(2)18-12-14-19(15-13-18)20-8-7-9-21(27)24(20)25-29-31-32-30-25/h5-15,17H,3-4,16H2,1-2H3,(H,29,30,31,32)/t17-/m1/s1
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| InChIKey |
UEAJVENVJDWQAA-QGZVFWFLSA-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