General Information of the Compound
| Compound ID |
CP0485676
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| Compound Name |
(3S,4R)-N-(2,5-difluorophenyl)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C27H29F2N3O5S
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| Molecular Weight |
545.608
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| Canonical SMILES |
CCN(C(=O)c1cnc2OC(C)(C)[C@@H](O)[C@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1)c1cc(F)ccc1F
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| InChI |
InChI=1S/C27H29F2N3O5S/c1-5-16-7-10-19(11-8-16)38(35,36)31-23-20-13-17(15-30-25(20)37-27(3,4)24(23)33)26(34)32(6-2)22-14-18(28)9-12-21(22)29/h7-15,23-24,31,33H,5-6H2,1-4H3/t23-,24+/m1/s1
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| InChIKey |
YAICTTBNWOLACU-RPWUZVMVSA-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