General Information of the Compound
| Compound ID |
CP0514107
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| Compound Name |
US10112931, Example 399
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| Structure |
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| Formula |
C20H19ClF2N6O2
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| Molecular Weight |
448.861
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| Canonical SMILES |
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F
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| InChI |
InChI=1S/C20H19ClF2N6O2/c1-11(22)17-9-31-20(30)29(17)18-15(23)7-24-19(27-18)26-12(2)16-8-28(10-25-16)14-5-3-13(21)4-6-14/h3-8,10-12,17H,9H2,1-2H3,(H,24,26,27)/t11-,12+,17-/m1/s1
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| InChIKey |
TXJIZORMCOMGCK-BWACUDIHSA-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