General Information of the Compound
| Compound ID |
CP0886861
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| Compound Name |
US9187424, 182
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| Structure |
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| Formula |
C25H22F3N7O2
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| Molecular Weight |
509.492
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| Canonical SMILES |
COc1ccc(Cn2cc(C3(C(F)(F)F)CC(c4ccc(C)cc4)=C(c4nn[nH]n4)C(=O)N3)cn2)cc1
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| InChI |
InChI=1S/C25H22F3N7O2/c1-15-3-7-17(8-4-15)20-11-24(25(26,27)28,30-23(36)21(20)22-31-33-34-32-22)18-12-29-35(14-18)13-16-5-9-19(37-2)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,30,36)(H,31,32,33,34)
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| InChIKey |
OHBMVAITZCIAAV-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