General Information of the Compound
| Compound ID |
CP0526120
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| Compound Name |
US10300060, Example 8-1
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| Structure |
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| Formula |
C26H19ClF3N9O2
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| Molecular Weight |
581.946
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| Canonical SMILES |
Cc1cn(nn1)-c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H19ClF3N9O2/c1-14-13-39(38-37-14)22-7-4-16(26(28,29)30)8-21(22)36-24(40)35-18-11-33-25(34-12-18)41-19-5-2-15(3-6-19)20-9-17(27)10-32-23(20)31/h2-13H,1H3,(H2,31,32)(H2,35,36,40)
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| InChIKey |
LJZXQCAFSGXUDA-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