General Information of the Compound
| Compound ID |
CP0556521
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| Compound Name |
US8969325, 195
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| Structure |
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| Formula |
C20H19F3N4O4
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| Molecular Weight |
436.39
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CCOc4cc(OC(F)(F)F)ccc34)cc2NC1=O
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| InChI |
InChI=1S/C20H19F3N4O4/c1-27-10-11-2-3-12(8-16(11)26-19(27)29)24-18(28)25-15-6-7-30-17-9-13(4-5-14(15)17)31-20(21,22)23/h2-5,8-9,15H,6-7,10H2,1H3,(H,26,29)(H2,24,25,28)/t15-/m1/s1
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| InChIKey |
HSVIFGARLKQUOK-OAHLLOKOSA-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