General Information of the Compound
| Compound ID |
CP0503662
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| Compound Name |
US8835470, 61
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| Structure |
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| Formula |
C22H18F3N5O3
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| Molecular Weight |
457.412
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| Canonical SMILES |
CCNC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1cnn(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C22H18F3N5O3/c1-2-26-20(32)17(31)13-8-10-14(11-9-13)19-28-21(33-29-19)16-12-27-30(18(16)22(23,24)25)15-6-4-3-5-7-15/h3-12,17,31H,2H2,1H3,(H,26,32)
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| InChIKey |
IZYLGCNIVXIVTB-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