General Information of the Compound
| Compound ID |
CP0555885
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| Compound Name |
US9150546, I-273
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| Structure |
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| Formula |
C21H22ClFN4O4
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| Molecular Weight |
448.882
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C21H22ClFN4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29)
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| InChIKey |
XKUBPFCGXISTNR-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