General Information of the Compound
| Compound ID |
CP0459818
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| Compound Name |
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C23H29N5O4S
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| Molecular Weight |
471.583
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H29N5O4S/c1-17-7-9-27(10-8-17)21-15-18(26-11-13-28(14-12-26)33(2,30)31)3-5-20(21)25-23(29)22-6-4-19(16-24)32-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
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| InChIKey |
REJFXXBFQUSFTH-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