General Information of the Compound
| Compound ID |
CP0275907
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| Compound Name |
N-[3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-methyl-5-propan-2-ylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
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| Structure |
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| Formula |
C23H24F4N4O5S
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| Molecular Weight |
544.527
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| Canonical SMILES |
CC(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F
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| InChI |
InChI=1S/C23H24F4N4O5S/c1-12(2)37(33,34)21(3)6-7-22(11-24,31-20(21)28)14-8-13(4-5-15(14)25)30-19(32)16-9-17-18(10-29-16)36-23(26,27)35-17/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,28,31)(H,30,32)/t21-,22-/m1/s1
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| InChIKey |
GVVBDFYWLNHZJY-FGZHOGPDSA-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