General Information of the Compound
| Compound ID |
CP0920581
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| Compound Name |
US8921559, 10
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| Structure |
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| Formula |
C31H35F3N4O2
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| Molecular Weight |
552.641
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C31H35F3N4O2/c32-31(33,34)23-5-3-4-20(18-23)8-13-28(39)38-16-14-22(15-17-38)29(30(35)40)37-24-11-9-21(10-12-24)26-19-36-27-7-2-1-6-25(26)27/h1-8,13,18-19,21-22,24,29,36-37H,9-12,14-17H2,(H2,35,40)/b13-8+
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| InChIKey |
WTOWTZMLDHRNCU-MDWZMJQESA-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