General Information of the Compound
| Compound ID |
CP0550929
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| Compound Name |
N-[2-(diethylamino)ethyl]-4-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]benzamide
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| Structure |
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H28N4O3/c1-3-31(4-2)19-18-28-26(32)21-12-10-20(11-13-21)25-29-27(34-30-25)22-14-16-24(17-15-22)33-23-8-6-5-7-9-23/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)
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| InChIKey |
XMQNTDBQLOGXJP-UHFFFAOYSA-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