General Information of the Compound
| Compound ID |
CP0955792
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| Compound Name |
(R)-2-butyl-{1-[5'-chloro-2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]ethyl}aminobenzo[d]oxazole-4-carboxylic acid
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| Formula |
C28H25ClN4O5
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| Molecular Weight |
532.984
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| Canonical SMILES |
CCCCN(c1nc2c(C(=O)O)cccc2o1)[C@H](C)c1ccc(-c2cc(Cl)ccc2-c2nc(=O)o[nH]2)cc1
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| InChI |
InChI=1S/C28H25ClN4O5/c1-3-4-14-33(27-30-24-21(26(34)35)6-5-7-23(24)37-27)16(2)17-8-10-18(11-9-17)22-15-19(29)12-13-20(22)25-31-28(36)38-32-25/h5-13,15-16H,3-4,14H2,1-2H3,(H,34,35)(H,31,32,36)/t16-/m1/s1
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| InChIKey |
NIYWEEYTBKCJPU-MRXNPFEDSA-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