General Information of the Compound
| Compound ID |
CP0961369
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| Compound Name |
US9187424, 198
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| Structure |
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| Formula |
C25H21F3N4O
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| Molecular Weight |
450.464
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| Canonical SMILES |
Cc1ccc(C2=C(c3cn[nH]n3)C(=O)NC(C#CCCc3ccccc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H21F3N4O/c1-17-10-12-19(13-11-17)20-15-24(25(26,27)28,14-6-5-9-18-7-3-2-4-8-18)30-23(33)22(20)21-16-29-32-31-21/h2-4,7-8,10-13,16H,5,9,15H2,1H3,(H,30,33)(H,29,31,32)
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| InChIKey |
XQRFGASASGGWPG-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