General Information of the Compound
| Compound ID |
CP0969023
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| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butylbenzo[d]oxazol-2-amine
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| Formula |
C27H25F3N6O
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| Molecular Weight |
506.532
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| Canonical SMILES |
CCCCN(c1nc2ccccc2o1)[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C27H25F3N6O/c1-3-4-15-36(26-31-23-7-5-6-8-24(23)37-26)17(2)18-9-11-19(12-10-18)21-14-13-20(27(28,29)30)16-22(21)25-32-34-35-33-25/h5-14,16-17H,3-4,15H2,1-2H3,(H,32,33,34,35)/t17-/m1/s1
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| InChIKey |
OARNJYARTYQIJY-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