General Information of the Compound
| Compound ID |
CP0441966
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| Compound Name |
US8835470, 88
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| Structure |
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| Formula |
C25H22F3N5O4
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| Molecular Weight |
513.476
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| Canonical SMILES |
OC(C(=O)NCC1CCCN1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C25H22F3N5O4/c26-25(27,28)18-19(14-5-2-1-3-6-14)32-36-21(18)24-31-22(33-37-24)16-10-8-15(9-11-16)20(34)23(35)30-13-17-7-4-12-29-17/h1-3,5-6,8-11,17,20,29,34H,4,7,12-13H2,(H,30,35)
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| InChIKey |
DXUSAGFUTINQAE-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