General Information of the Compound
| Compound ID |
CP0961730
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-1,2,3-thiadiazole-4-carboxamide
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| Structure |
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| Formula |
C21H17F2N5O2S
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| Molecular Weight |
441.463
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2csnn2)c1
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| InChI |
InChI=1S/C21H17F2N5O2S/c22-14-2-4-20(16(23)10-14)30-15-5-7-28(8-6-15)19-3-1-13(11-24)9-17(19)25-21(29)18-12-31-27-26-18/h1-4,9-10,12,15H,5-8H2,(H,25,29)
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| InChIKey |
HXINQZBIJJXBLZ-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