General Information of the Compound
| Compound ID |
CP0382264
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| Compound Name |
(3S,4R)-N-[(2-chloro-6-fluorophenyl)methyl]-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 |
C28H31ClFN3O5S
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| Molecular Weight |
576.09
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| Canonical SMILES |
CCN(Cc1c(F)cccc1Cl)C(=O)c1cnc2OC(C)(C)[C@@H](O)[C@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1
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| InChI |
InChI=1S/C28H31ClFN3O5S/c1-5-17-10-12-19(13-11-17)39(36,37)32-24-20-14-18(15-31-26(20)38-28(3,4)25(24)34)27(35)33(6-2)16-21-22(29)8-7-9-23(21)30/h7-15,24-25,32,34H,5-6,16H2,1-4H3/t24-,25+/m1/s1
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| InChIKey |
LBTAKABHVZECMY-RPBOFIJWSA-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