General Information of the Compound
| Compound ID |
CP0419161
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| Compound Name |
US9278960, 4-108
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| Structure |
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| Formula |
C25H29FN4O
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| Molecular Weight |
420.532
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| Canonical SMILES |
CC(C)(C)C1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CCN1
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| InChI |
InChI=1S/C25H29FN4O/c1-25(2,3)23-15-30(11-10-28-23)14-16-4-9-19-20(17-5-7-18(26)8-6-17)13-22(24(27)31)29-21(19)12-16/h4-9,12-13,23,28H,10-11,14-15H2,1-3H3,(H2,27,31)
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| InChIKey |
XLGWOHXRFDSAJJ-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