General Information of the Compound
| Compound ID |
CP0506932
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| Compound Name |
US9062059, 3-8
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| Structure |
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| Formula |
C18H19FN6OS
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| Molecular Weight |
386.456
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| Canonical SMILES |
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(CF)n2)s1
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| InChI |
InChI=1S/C18H19FN6OS/c1-11-24-25-18(27-11)9-21-15-7-17(23-16(8-19)22-15)26-10-12-6-13(12)14-4-2-3-5-20-14/h2-5,7,12-13H,6,8-10H2,1H3,(H,21,22,23)/t12-,13+/m1/s1
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| InChIKey |
GAHBYCAKOYTKMH-OLZOCXBDSA-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