General Information of the Compound
| Compound ID |
CP0478604
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| Compound Name |
US9428456, 1.296
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| Structure |
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| Formula |
C25H31F3N4O3
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| Molecular Weight |
492.542
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| Canonical SMILES |
COc1ccc(NC(=O)c2cccc(n2)C(F)(F)F)cc1CN1CCC(CC1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H31F3N4O3/c1-24(2,3)31-22(33)16-10-12-32(13-11-16)15-17-14-18(8-9-20(17)35-4)29-23(34)19-6-5-7-21(30-19)25(26,27)28/h5-9,14,16H,10-13,15H2,1-4H3,(H,29,34)(H,31,33)
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| InChIKey |
TUZMJYTYCKMACY-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