General Information of the Compound
| Compound ID |
CP0490085
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| Compound Name |
US9278960, 2-23
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| Structure |
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| Formula |
C27H30FN3O5
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| Molecular Weight |
495.551
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| Canonical SMILES |
CC(C)(C)OC(=O)N(Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H30FN3O5/c1-26(2,3)35-24(33)31(25(34)36-27(4,5)6)15-16-7-12-19-20(17-8-10-18(28)11-9-17)14-22(23(29)32)30-21(19)13-16/h7-14H,15H2,1-6H3,(H2,29,32)
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| InChIKey |
XHNSDIUJFXJZTD-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