General Information of the Compound
| Compound ID |
CP0557001
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| Compound Name |
US9206173, 2476
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| Structure |
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| Formula |
C26H21F3N6O2
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| Molecular Weight |
506.488
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| Canonical SMILES |
CN(Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N6O2/c1-3-12-35-24(37)21-16-34(23(36)18-6-4-5-17(14-18)15-30)13-11-22(21)31-25(35)32-33(2)20-9-7-19(8-10-20)26(27,28)29/h1,4-10,14H,11-13,16H2,2H3,(H,31,32)
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| InChIKey |
VAAJSEVCZLPXET-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