General Information of the Compound
| Compound ID |
CP0196615
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(3,3-difluoro-1-methyl-2-oxoindol-6-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C24H24F2N4O3
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| Molecular Weight |
454.477
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| Canonical SMILES |
CN1C(=O)C(F)(F)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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| InChI |
InChI=1S/C24H24F2N4O3/c1-30-20-12-17(7-8-19(20)24(25,26)23(30)32)16-5-3-15(4-6-16)11-18(13-27)29-22(31)21-14-28-9-2-10-33-21/h3-8,12,18,21,28H,2,9-11,14H2,1H3,(H,29,31)/t18-,21-/m0/s1
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| InChIKey |
SABYNPLHFAPZQF-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