General Information of the Compound
| Compound ID |
CP0451565
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| Compound Name |
US9409915, 81
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| Structure |
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| Formula |
C22H22F3N5O
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| Molecular Weight |
429.446
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| Canonical SMILES |
COc1cc(nc2nc([nH]c12)-c1cc(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O/c1-21(2,3)17-11-15(30(4)29-17)19-27-18-16(31-5)10-14(26-20(18)28-19)12-8-6-7-9-13(12)22(23,24)25/h6-11H,1-5H3,(H,26,27,28)
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| InChIKey |
JIOHOCAPCDQGNM-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