General Information of the Compound
| Compound ID |
CP0943629
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| Compound Name |
US8921559, 37
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| Formula |
C30H33F3N4O2
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| Molecular Weight |
538.614
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| Canonical SMILES |
NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C30H33F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,35-36H,6-9,11-14H2,(H2,34,39)/b10-5+/t19-,21+,29?
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| InChIKey |
PDJAYZAJEHUMDM-CFIOTUPXSA-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