General Information of the Compound
| Compound ID |
CP0894315
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| Compound Name |
4-[4-(4-Cyano-3-fuoro-phenoxymethyl)-4-hydroxy-piperidine-1-sulfonyl]-isophthalonitrile
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| Structure |
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| Formula |
C21H17FN4O4S
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| Molecular Weight |
440.456
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)N2CCC(O)(COc3ccc(C#N)c(F)c3)CC2)c(C#N)c1
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| InChI |
InChI=1S/C21H17FN4O4S/c22-19-10-18(3-2-16(19)12-24)30-14-21(27)5-7-26(8-6-21)31(28,29)20-4-1-15(11-23)9-17(20)13-25/h1-4,9-10,27H,5-8,14H2
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| InChIKey |
YJQMDHMEUFKXHU-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