General Information of the Compound
| Compound ID |
CP0014588
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| Compound Name |
US10196390, Compound I-136
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| Structure |
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| Formula |
C21H17F2N5O2
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| Molecular Weight |
409.396
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| Canonical SMILES |
CCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
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| InChI |
InChI=1S/C21H17F2N5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,25,27,28)
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| InChIKey |
GMKDBZSWCAEANI-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