General Information of the Compound
| Compound ID |
CP0367979
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| Compound Name |
N-[3-[3-[methyl(prop-2-ynyl)amino]propoxy]phenyl]benzamide
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CN(CCCOc1cccc(NC(=O)c2ccccc2)c1)CC#C
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| InChI |
InChI=1S/C20H22N2O2/c1-3-13-22(2)14-8-15-24-19-12-7-11-18(16-19)21-20(23)17-9-5-4-6-10-17/h1,4-7,9-12,16H,8,13-15H2,2H3,(H,21,23)
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| InChIKey |
KVJZOCDOWYOLCZ-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