General Information of the Compound
| Compound ID |
CP0957439
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| Compound Name |
(R)-N-{1-[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]ethyl}-N-butyl-4-(1H-pyrazol-1-yl)benzo[d]oxazol-2-amine
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| Formula |
C29H28N8O
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| Molecular Weight |
504.598
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| Canonical SMILES |
CCCCN(c1nc2c(-n3cccn3)cccc2o1)[C@H](C)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C29H28N8O/c1-3-4-18-36(29-31-27-25(37-19-8-17-30-37)11-7-12-26(27)38-29)20(2)21-13-15-22(16-14-21)23-9-5-6-10-24(23)28-32-34-35-33-28/h5-17,19-20H,3-4,18H2,1-2H3,(H,32,33,34,35)/t20-/m1/s1
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| InChIKey |
ZBSNSFXRZQJDPX-HXUWFJFHSA-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