General Information of the Compound
| Compound ID |
CP0427663
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| Compound Name |
3-Hydroxy-1-oxo-tetrahydro-1lambda*4*-thiophene-3-carboxylic acid ((R)-1-{5-[5-chloro-3-fluoro-2-(2-methyl-2H-tetrazol-5-yl)-phenyl]-3-fluoro-pyridin-2-yl}-ethyl)-amide
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| Structure |
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| Formula |
C20H19ClF2N6O3S
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| Molecular Weight |
496.927
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| Canonical SMILES |
C[C@@H](NC(=O)C1(O)CCS(=O)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
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| InChI |
InChI=1S/C20H19ClF2N6O3S/c1-10(25-19(30)20(31)3-4-33(32)9-20)17-15(23)5-11(8-24-17)13-6-12(21)7-14(22)16(13)18-26-28-29(2)27-18/h5-8,10,31H,3-4,9H2,1-2H3,(H,25,30)/t10-,20?,33?/m1/s1
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| InChIKey |
SNJFIGZMGCIHDP-NKZBIEGASA-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