General Information of the Compound
| Compound ID |
CP0494044
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| Compound Name |
US10028961, Compound 264
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| Structure |
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| Formula |
C18H21F5N6O
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| Molecular Weight |
432.397
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| Canonical SMILES |
CC(C)(O)CNc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H21F5N6O/c1-16(2,30)9-24-14-27-13(11-4-3-5-12(26-11)18(21,22)23)28-15(29-14)25-10-6-7-17(19,20)8-10/h3-5,10,30H,6-9H2,1-2H3,(H2,24,25,27,28,29)
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| InChIKey |
BBXPSOCEABWQQG-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