General Information of the Compound
| Compound ID |
CP0402744
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| Compound Name |
US9409915, 92
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| Structure |
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| Formula |
C23H25ClFN5O
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| Molecular Weight |
441.938
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| Canonical SMILES |
CC(C)Oc1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1F
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| InChI |
InChI=1S/C23H25ClFN5O/c1-12(2)31-22-18-16(11-15(27-22)13-9-7-8-10-14(13)25)26-21(28-18)19-17(24)20(23(3,4)5)29-30(19)6/h7-12H,1-6H3,(H,26,28)
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| InChIKey |
MDVWRYDUKDRAGT-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