General Information of the Compound
| Compound ID |
CP0449937
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| Compound Name |
US9216968, 12
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| Structure |
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| Formula |
C25H18F6N4O2
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| Molecular Weight |
520.433
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| Canonical SMILES |
Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H18F6N4O2/c1-13-33-20-11-15(35-23(37)16-7-3-5-9-19(16)25(29,30)31)10-17(21(20)34-13)22(36)32-12-14-6-2-4-8-18(14)24(26,27)28/h2-11H,12H2,1H3,(H,32,36)(H,33,34)(H,35,37)
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| InChIKey |
RNQALLTYBIQPLN-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