General Information of the Compound
| Compound ID |
CP0931276
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| Compound Name |
N-5-cyano-2-(4-(2,4-difluorophenoxy)piperiddin-1-yl)phenyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
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| Structure |
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| Formula |
C22H20F2N6O2
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| Molecular Weight |
438.438
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| Canonical SMILES |
Cn1cc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nn1
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| InChI |
InChI=1S/C22H20F2N6O2/c1-29-13-19(27-28-29)22(31)26-18-10-14(12-25)2-4-20(18)30-8-6-16(7-9-30)32-21-5-3-15(23)11-17(21)24/h2-5,10-11,13,16H,6-9H2,1H3,(H,26,31)
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| InChIKey |
ITSAINWAGDYXGC-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