General Information of the Compound
| Compound ID |
CP0927504
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| Compound Name |
US9199981, F99
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| Structure |
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| Formula |
C27H27F2N8O3+
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| Molecular Weight |
549.562
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| Canonical SMILES |
COCC[N+]1=NC(c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)N=C1C
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| InChI |
InChI=1S/C27H26F2N8O3/c1-15-4-5-17(24-33-26(40-35-24)19-11-27(28,29)12-19)10-20(15)32-25(38)21-13-30-22-7-6-18(14-36(21)22)23-31-16(2)37(34-23)8-9-39-3/h4-7,10,13-14,19,23H,8-9,11-12H2,1-3H3/p+1
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| InChIKey |
VEOXELMHMPMHKO-UHFFFAOYSA-O
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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