General Information of the Compound
| Compound ID |
CP0457810
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| Compound Name |
N-[4-[4-[4-[(5-cyanopyridin-2-yl)amino]piperidin-1-yl]sulfonylphenyl]phenyl]acetamide
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| Structure |
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C25H25N5O3S/c1-18(31)28-22-7-3-20(4-8-22)21-5-9-24(10-6-21)34(32,33)30-14-12-23(13-15-30)29-25-11-2-19(16-26)17-27-25/h2-11,17,23H,12-15H2,1H3,(H,27,29)(H,28,31)
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| InChIKey |
CVSOGLHVGCDSSP-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