General Information of the Compound
| Compound ID |
CP0545001
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| Compound Name |
US9409915, 50
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| Structure |
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| Formula |
C28H33ClF3N7O
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| Molecular Weight |
576.067
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| Canonical SMILES |
CN1CCN(CCOc2nc(cc3nc([nH]c23)-c2c(Cl)c(nn2C)C(C)(C)C)-c2ccccc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H33ClF3N7O/c1-27(2,3)24-21(29)23(38(5)36-24)25-33-20-16-19(17-8-6-7-9-18(17)28(30,31)32)34-26(22(20)35-25)40-15-14-39-12-10-37(4)11-13-39/h6-9,16H,10-15H2,1-5H3,(H,33,35)
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| InChIKey |
WZJDFJZQOOFWBY-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