General Information of the Compound
| Compound ID |
CP0357732
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| Compound Name |
US10196390, Compound I-88
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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 |
CCNC(=O)Cc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
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| InChI |
InChI=1S/C22H19F2N5O2/c1-2-25-19(30)8-12-6-7-18(26-10-12)29-16-9-15(20-13(23)4-3-5-14(20)24)28-17-11-27-22(31)21(16)17/h3-7,9-10H,2,8,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29)
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| InChIKey |
VDBXBFGDCXCBAX-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