General Information of the Compound
| Compound ID |
CP0537193
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| Compound Name |
US9428456, 1.316
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| Structure |
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| Formula |
C25H31F3N4O2
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| Molecular Weight |
476.543
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| Canonical SMILES |
Cc1cc(CN2CCC(CC2)C(=O)NC(C)(C)C)cc(NC(=O)c2cccc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H31F3N4O2/c1-16-12-17(15-32-10-8-18(9-11-32)22(33)31-24(2,3)4)14-19(13-16)29-23(34)20-6-5-7-21(30-20)25(26,27)28/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,29,34)(H,31,33)
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| InChIKey |
WSSIHKUJQJTHAT-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