General Information of the Compound
| Compound ID |
CP0450011
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| Compound Name |
US9206198, 80
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| Structure |
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| Formula |
C23H25FN2O6
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| Molecular Weight |
444.459
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| Canonical SMILES |
CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3F)CC2)C1=O
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| InChI |
InChI=1S/C23H25FN2O6/c1-13-17(12-32-20(13)28)26-9-6-23(22(26)30)4-7-25(8-5-23)10-18(27)15-3-2-14-16(19(15)24)11-31-21(14)29/h2-3,18,27H,4-12H2,1H3
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| InChIKey |
ZJJNASGFJMHSMG-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