General Information of the Compound
| Compound ID |
CP0970082
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| Compound Name |
1-(2-chlorobenzyl)-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 |
C29H25ClF2N6O3
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| Molecular Weight |
579.007
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| Canonical SMILES |
COc1c(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nnn1Cc1ccccc1Cl
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| InChI |
InChI=1S/C29H25ClF2N6O3/c1-40-29-27(35-36-38(29)17-19-4-2-3-5-22(19)30)28(39)34-24-14-18(16-33)6-8-25(24)37-12-10-21(11-13-37)41-26-9-7-20(31)15-23(26)32/h2-9,14-15,21H,10-13,17H2,1H3,(H,34,39)
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| InChIKey |
XPAIRFWCKMGLAK-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