General Information of the Compound
| Compound ID |
CP0446434
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| Compound Name |
N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C26H21N5O3S
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| Molecular Weight |
483.553
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| Canonical SMILES |
NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C26H21N5O3S/c27-11-10-24(33)29-17-6-3-5-16(13-17)19-14-21(18-7-1-2-8-22(18)32)30-25(20(19)15-28)31-26(34)23-9-4-12-35-23/h1-9,12-14,32H,10-11,27H2,(H,29,33)(H,30,31,34)
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| InChIKey |
XHNROVWJZRHLIY-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