General Information of the Compound
| Compound ID |
CP0543383
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| Compound Name |
US10196390, Compound I-248
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| Structure |
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| Formula |
C22H17F2N5O3
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| Molecular Weight |
437.406
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| Canonical SMILES |
Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2=O)c2C(=O)NCc2n1
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| InChI |
InChI=1S/C22H17F2N5O3/c23-13-2-1-3-14(24)20(13)15-8-16(21-17(27-15)10-26-22(21)31)28-18-5-4-12(9-25-18)29-6-7-32-11-19(29)30/h1-5,8-9H,6-7,10-11H2,(H,26,31)(H,25,27,28)
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| InChIKey |
MBDFURBNMPAMJT-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