General Information of the Compound
| Compound ID |
CP0382262
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| Compound Name |
(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C29H35N3O5S
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| Molecular Weight |
537.682
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| Canonical SMILES |
CCN(Cc1ccc(C)cc1)C(=O)c1cnc2OC(C)(C)[C@@H](O)[C@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1
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| InChI |
InChI=1S/C29H35N3O5S/c1-6-20-12-14-23(15-13-20)38(35,36)31-25-24-16-22(17-30-27(24)37-29(4,5)26(25)33)28(34)32(7-2)18-21-10-8-19(3)9-11-21/h8-17,25-26,31,33H,6-7,18H2,1-5H3/t25-,26+/m1/s1
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| InChIKey |
XLTWTLLOULZZJA-FTJBHMTQSA-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