General Information of the Compound
| Compound ID |
CP0903876
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| Compound Name |
N-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(methylsulfonyl)phenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-3-carboxamide
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| Structure |
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| Formula |
C26H28F2N4O5S
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| Molecular Weight |
546.596
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnn3c2OCCCC3)c1
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| InChI |
InChI=1S/C26H28F2N4O5S/c1-38(34,35)19-5-6-23(31-11-8-18(9-12-31)37-24-7-4-17(27)14-21(24)28)22(15-19)30-25(33)20-16-29-32-10-2-3-13-36-26(20)32/h4-7,14-16,18H,2-3,8-13H2,1H3,(H,30,33)
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| InChIKey |
HJQTVXUNPFAUIJ-UHFFFAOYSA-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