General Information of the Compound
| Compound ID |
CP0553789
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| Compound Name |
US8969325, 134
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| Structure |
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| Formula |
C21H20ClF2N3O4
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| Molecular Weight |
451.857
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| Canonical SMILES |
C[C@H]1Oc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc2NC1=O
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| InChI |
InChI=1S/C21H20ClF2N3O4/c1-11-19(28)25-14-3-2-4-15(18(14)30-11)26-20(29)27-16-8-21(9-23,10-24)31-17-7-12(22)5-6-13(16)17/h2-7,11,16H,8-10H2,1H3,(H,25,28)(H2,26,27,29)/t11-,16-/m1/s1
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| InChIKey |
QUIXEVQCRWMFKR-BDJLRTHQSA-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