General Information of the Compound
| Compound ID |
CP0468031
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| Compound Name |
US9493412, 92
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| Structure |
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| Formula |
C20H19FN2O3
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| Molecular Weight |
354.381
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| Canonical SMILES |
C[C@@H](NC(=O)C1=C(O)C(=O)N(C)C1)c1cccc(c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C20H19FN2O3/c1-12(22-19(25)17-11-23(2)20(26)18(17)24)13-5-3-6-14(9-13)15-7-4-8-16(21)10-15/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-/m1/s1
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| InChIKey |
KLMUQZGRDYJZOT-GFCCVEGCSA-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