General Information of the Compound
| Compound ID |
CP0930970
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| Compound Name |
1-benzyl-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5-methoxy-1H-1,2,3-triazole-4-carboxamide
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| Structure |
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| Formula |
C29H26F2N6O3
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| Molecular Weight |
544.562
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| Canonical SMILES |
COc1c(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nnn1Cc1ccccc1
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| InChI |
InChI=1S/C29H26F2N6O3/c1-39-29-27(34-35-37(29)18-19-5-3-2-4-6-19)28(38)33-24-15-20(17-32)7-9-25(24)36-13-11-22(12-14-36)40-26-10-8-21(30)16-23(26)31/h2-10,15-16,22H,11-14,18H2,1H3,(H,33,38)
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| InChIKey |
TURZPNGJLVGWHC-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