General Information of the Compound
| Compound ID |
CP0261054
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| Compound Name |
US10196390, Compound I-171
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| Structure |
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| Formula |
C22H19F2N5O2
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| Molecular Weight |
423.423
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| Canonical SMILES |
Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
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| InChI |
InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
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| InChIKey |
KLZVSYSRODCTRH-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