General Information of the Compound
| Compound ID |
CP0556839
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| Compound Name |
US8802711, K
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| Structure |
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| Formula |
C19H17F3N4O2
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| Molecular Weight |
390.365
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| Canonical SMILES |
Cc1nc(Nc2ncnc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N4O2/c1-10-16(11-2-4-12(5-3-11)19(20,21)22)28-18(25-10)26-17-14-8-13(27)6-7-15(14)23-9-24-17/h2-5,9,13,27H,6-8H2,1H3,(H,23,24,25,26)/t13-/m1/s1
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| InChIKey |
FFKHGYNBJXNICJ-CYBMUJFWSA-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