General Information of the Compound
| Compound ID |
CP0968144
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| Compound Name |
N-(5-(4-chloro-6-fluoropyridin-3-yloxy)pyridin-2-yl)-2-((S)-4,4-difluoro-3-(6-oxo-1,6-dihydropyridin-3-yl)piperidin-1-yl)propanamide
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| Structure |
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| Formula |
C23H21ClF3N5O3
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| Molecular Weight |
507.9
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| Canonical SMILES |
CC(C(=O)Nc1ccc(Oc2cnc(F)cc2Cl)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1
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| InChI |
InChI=1S/C23H21ClF3N5O3/c1-13(32-7-6-23(26,27)16(12-32)14-2-5-21(33)30-9-14)22(34)31-20-4-3-15(10-29-20)35-18-11-28-19(25)8-17(18)24/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,30,33)(H,29,31,34)/t13?,16-/m1/s1
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| InChIKey |
QTLDRMTVXMRUSU-FQNRMIAFSA-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