General Information of the Compound
| Compound ID |
CP0385381
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| Compound Name |
5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
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| Structure |
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| Formula |
C31H32N2O4S
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| Molecular Weight |
528.674
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| Canonical SMILES |
O=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1
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| InChI |
InChI=1S/C31H32N2O4S/c34-29(30-14-8-20-38-30)13-7-15-31(35)33-26(23-36-22-24-9-3-1-4-10-24)21-32-25-16-18-28(19-17-25)37-27-11-5-2-6-12-27/h1-6,8-12,14,16-20,26,32H,7,13,15,21-23H2,(H,33,35)
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| InChIKey |
DAESIMAUDKMISD-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