General Information of the Compound
| Compound ID |
CP0495547
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| Compound Name |
US9409915, 65
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| Structure |
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| Formula |
C26H26F3N7O
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| Molecular Weight |
509.536
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| Canonical SMILES |
Cn1nc(c(C#N)c1-c1nc2nc(cc(N3CCOCC3)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C26H26F3N7O/c1-25(2,3)22-16(14-30)21(35(4)34-22)24-32-20-19(36-9-11-37-12-10-36)13-18(31-23(20)33-24)15-7-5-6-8-17(15)26(27,28)29/h5-8,13H,9-12H2,1-4H3,(H,31,32,33)
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| InChIKey |
IBARVXFDNKJHMM-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