General Information of the Compound
| Compound ID |
CP0196611
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-[3-(2,2-difluoroethyl)-2-oxo-1,3-benzoxazol-5-yl]phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C24H24F2N4O4
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| Molecular Weight |
470.476
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| Canonical SMILES |
FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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| InChI |
InChI=1S/C24H24F2N4O4/c25-22(26)14-30-19-11-17(6-7-20(19)34-24(30)32)16-4-2-15(3-5-16)10-18(12-27)29-23(31)21-13-28-8-1-9-33-21/h2-7,11,18,21-22,28H,1,8-10,13-14H2,(H,29,31)/t18-,21-/m0/s1
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| InChIKey |
ANPJTTUBCRFBKA-RXVVDRJESA-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