General Information of the Compound
| Compound ID |
CP0575702
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| Compound Name |
US8835470, 30
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| Structure |
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| Formula |
C23H18F3N5O4
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| Molecular Weight |
485.422
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| Canonical SMILES |
OC(C(=O)NC1CNC1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C23H18F3N5O4/c24-23(25,26)16-17(12-4-2-1-3-5-12)30-34-19(16)22-29-20(31-35-22)14-8-6-13(7-9-14)18(32)21(33)28-15-10-27-11-15/h1-9,15,18,27,32H,10-11H2,(H,28,33)
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| InChIKey |
SUDYFWLPQRRIJO-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