General Information of the Compound
| Compound ID |
CP0556743
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C20H20F3N5O2
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| Molecular Weight |
419.407
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| Canonical SMILES |
FC(F)(F)c1cnc(nc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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| InChI |
InChI=1S/C20H20F3N5O2/c21-20(22,23)15-10-26-18(27-11-15)14-4-2-13(3-5-14)8-16(9-24)28-19(29)17-12-25-6-1-7-30-17/h2-5,10-11,16-17,25H,1,6-8,12H2,(H,28,29)/t16-,17-/m0/s1
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| InChIKey |
PQGYESNKRDSLIY-IRXDYDNUSA-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