General Information of the Compound
| Compound ID |
CP0442553
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| Compound Name |
US9199981, F48
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| Structure |
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| Formula |
C27H24F3N7O3
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| Molecular Weight |
551.529
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| Canonical SMILES |
CC(C)(O)Cn1cc(cn1)-c1ccc2ncc(C(=O)Nc3cc(ccc3F)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C27H24F3N7O3/c1-26(2,39)14-36-12-18(10-32-36)16-4-6-22-31-11-21(37(22)13-16)24(38)33-20-7-15(3-5-19(20)28)23-34-25(40-35-23)17-8-27(29,30)9-17/h3-7,10-13,17,39H,8-9,14H2,1-2H3,(H,33,38)
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| InChIKey |
ZUCAJOGACPVRKK-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