General Information of the Compound
| Compound ID |
CP0943675
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| Compound Name |
(R)-3-[2-({1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}(butyl)amino)benzo[d]oxazol-4-yl]-1,1-dimethylurea
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| Formula |
C29H32N8O2
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| Molecular Weight |
524.629
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| Canonical SMILES |
CCCCN(c1nc2c(NC(=O)N(C)C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C29H32N8O2/c1-5-6-18-37(29-31-26-24(30-28(38)36(3)4)12-9-13-25(26)39-29)19(2)20-14-16-21(17-15-20)22-10-7-8-11-23(22)27-32-34-35-33-27/h7-17,19H,5-6,18H2,1-4H3,(H,30,38)(H,32,33,34,35)/t19-/m1/s1
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| InChIKey |
UNIRIQOETIFJRY-LJQANCHMSA-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