General Information of the Compound
| Compound ID |
CP0402375
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| Compound Name |
N-[4-[2-[4-[1-(benzylamino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethoxy]phenyl]benzamide
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| Structure |
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| Formula |
C32H32N2O4
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| Molecular Weight |
508.618
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C32H32N2O4/c1-32(2,31(36)33-23-25-9-5-3-6-10-25)38-29-17-13-24(14-18-29)21-22-37-28-19-15-27(16-20-28)34-30(35)26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3,(H,33,36)(H,34,35)
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| InChIKey |
IGJNCCKFSZDAHR-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