General Information of the Compound
| Compound ID |
CP0903323
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| Compound Name |
(R)-2-({1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}(butyl)amino)-N-(methylsulfonyl)benzo[d]oxazole-4-carboxamide
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| Formula |
C28H29N7O4S
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| Molecular Weight |
559.652
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| Canonical SMILES |
CCCCN(c1nc2c(C(=O)NS(C)(=O)=O)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C28H29N7O4S/c1-4-5-17-35(28-29-25-23(11-8-12-24(25)39-28)27(36)32-40(3,37)38)18(2)19-13-15-20(16-14-19)21-9-6-7-10-22(21)26-30-33-34-31-26/h6-16,18H,4-5,17H2,1-3H3,(H,32,36)(H,30,31,33,34)/t18-/m1/s1
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| InChIKey |
XJTCGURFNSZSRO-GOSISDBHSA-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