General Information of the Compound
| Compound ID |
CP0515038
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| Compound Name |
US10266549, Example 152a
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| Structure |
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| Formula |
C15H13F3N6
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| Molecular Weight |
334.305
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1
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| InChI |
InChI=1S/C15H13F3N6/c16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24)
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| InChIKey |
TUASMCDFYZNBEE-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