General Information of the Compound
| Compound ID |
CP0957442
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| Compound Name |
(R)-2-((cyclopropylmethyl){1-[5'-methyl-2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]ethyl}amino)benzo[d]oxazole-4-carboxylic acid
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| Formula |
C29H26N4O5
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| Molecular Weight |
510.55
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| Canonical SMILES |
Cc1ccc(-c2nc(=O)o[nH]2)c(-c2ccc([C@@H](C)N(CC3CC3)c3nc4c(C(=O)O)cccc4o3)cc2)c1
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| InChI |
InChI=1S/C29H26N4O5/c1-16-6-13-21(26-31-29(36)38-32-26)23(14-16)20-11-9-19(10-12-20)17(2)33(15-18-7-8-18)28-30-25-22(27(34)35)4-3-5-24(25)37-28/h3-6,9-14,17-18H,7-8,15H2,1-2H3,(H,34,35)(H,31,32,36)/t17-/m1/s1
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| InChIKey |
FWMIYMSIZWIVNI-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