General Information of the Compound
| Compound ID |
CP0460356
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| Compound Name |
N-[3-cyano-4-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H23N5O3S
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| Molecular Weight |
497.58
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| Canonical SMILES |
CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C27H23N5O3S/c1-32(2)16-25(34)29-18-8-5-7-17(13-18)20-14-22(19-9-3-4-10-23(19)33)30-26(21(20)15-28)31-27(35)24-11-6-12-36-24/h3-14,33H,16H2,1-2H3,(H,29,34)(H,30,31,35)
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| InChIKey |
DPBXXZXVCPSJJB-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