General Information of the Compound
| Compound ID |
CP0966450
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| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butyl-4-(1-methyl-1H-pyrrol-2-yl)benzo[d]oxazol-2-amine
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| Formula |
C31H31N7O
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| Molecular Weight |
517.637
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| Canonical SMILES |
CCCCN(c1nc2c(-c3cccn3C)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C31H31N7O/c1-4-5-20-38(31-32-29-26(12-8-14-28(29)39-31)27-13-9-19-37(27)3)21(2)22-15-17-23(18-16-22)24-10-6-7-11-25(24)30-33-35-36-34-30/h6-19,21H,4-5,20H2,1-3H3,(H,33,34,35,36)/t21-/m1/s1
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| InChIKey |
VAMZJCBSILJDLK-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