General Information of the Compound
| Compound ID |
CP0525787
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| Compound Name |
2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]butanamide
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| Structure |
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| Formula |
C30H28FN5O4S
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| Molecular Weight |
573.65
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| Canonical SMILES |
CCC(C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OC)S(C)(=O)=O)nn2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H28FN5O4S/c1-4-25(20-5-10-22(31)11-6-20)29(37)32-23-12-7-19(8-13-23)21-9-16-28-34-30(35-36(28)18-21)33-26-15-14-24(41(3,38)39)17-27(26)40-2/h5-18,25H,4H2,1-3H3,(H,32,37)(H,33,35)
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| InChIKey |
YKGQOEAUKIHYAX-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