General Information of the Compound
| Compound ID |
CP0957435
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| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butyl-4-(methoxymethyl)benzo[d]oxazol-2-amine
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| Formula |
C28H30N6O2
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| Molecular Weight |
482.588
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| Canonical SMILES |
CCCCN(c1nc2c(COC)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C28H30N6O2/c1-4-5-17-34(28-29-26-22(18-35-3)9-8-12-25(26)36-28)19(2)20-13-15-21(16-14-20)23-10-6-7-11-24(23)27-30-32-33-31-27/h6-16,19H,4-5,17-18H2,1-3H3,(H,30,31,32,33)/t19-/m1/s1
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| InChIKey |
JYCSJCUKGHEGML-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