General Information of the Compound
| Compound ID |
CP0553078
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| Compound Name |
US9598415, 113
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| Structure |
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| Formula |
C27H27F3N8O4S
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| Molecular Weight |
616.626
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@H](C3CC3)C(F)(F)F)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C27H27F3N8O4S/c1-3-43(40,41)17-9-8-16(31-11-17)10-32-23-26(39)38(21(15-6-7-15)27(28,29)30)24-18(36-23)12-33-22(37-24)19-20(14-4-5-14)34-13-35-25(19)42-2/h8-9,11-15,21H,3-7,10H2,1-2H3,(H,32,36)/t21-/m1/s1
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| InChIKey |
QZVXOKNSCBKFRN-OAQYLSRUSA-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