General Information of the Compound
| Compound ID |
CP0961094
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| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butyl-4-(pyridin-3-yl)benzo[d]oxazol-2-amine
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| Formula |
C31H29N7O
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| Molecular Weight |
515.621
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| Canonical SMILES |
CCCCN(c1nc2c(-c3cccnc3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C31H29N7O/c1-3-4-19-38(31-33-29-26(12-7-13-28(29)39-31)24-9-8-18-32-20-24)21(2)22-14-16-23(17-15-22)25-10-5-6-11-27(25)30-34-36-37-35-30/h5-18,20-21H,3-4,19H2,1-2H3,(H,34,35,36,37)/t21-/m1/s1
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| InChIKey |
RIBUPWGUOBYOCJ-OAQYLSRUSA-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