General Information of the Compound
| Compound ID |
CP0495279
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| Compound Name |
US9428456, 2.102
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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 |
C[C@H]1C[C@H](CCN1Cc1cccc(NC(=O)c2cccc(n2)C(F)(F)F)c1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H31F3N4O2/c1-16-13-18(22(33)31-24(2,3)4)11-12-32(16)15-17-7-5-8-19(14-17)29-23(34)20-9-6-10-21(30-20)25(26,27)28/h5-10,14,16,18H,11-13,15H2,1-4H3,(H,29,34)(H,31,33)/t16-,18-/m0/s1
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| InChIKey |
IAYNENNTOSDIQU-WMZOPIPTSA-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