General Information of the Compound
| Compound ID |
CP0441913
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| Compound Name |
US8653125, Ia-43
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| Formula |
C20H19F3N4O2
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| Molecular Weight |
404.392
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1
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| InChI |
InChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-1-2-13(10-14)17-11-24-18(26-17)12-4-6-15(7-5-12)25-19(28)16-8-9-29-27-16/h1-3,8-12,15H,4-7H2,(H,24,26)(H,25,28)/t12-,15+
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| InChIKey |
SMFOKUWSWBHMFT-JNSHFYNHSA-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