General Information of the Compound
| Compound ID |
CP0560304
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| Compound Name |
US8686018, 105
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| Structure |
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| Formula |
C23H17F6N3O4
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| Molecular Weight |
513.394
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| Canonical SMILES |
Cn1nc(c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Oc1cccc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H17F6N3O4/c1-32-19(36-15-4-2-3-14(11-15)22(24,25)26)16(17(31-32)23(27,28)29)18(33)30-21(9-10-21)13-7-5-12(6-8-13)20(34)35/h2-8,11H,9-10H2,1H3,(H,30,33)(H,34,35)
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| InChIKey |
LEZDRMZGYSQUEQ-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