General Information of the Compound
| Compound ID |
CP0464499
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| Compound Name |
US9593100, Compound 24
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| Structure |
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| Formula |
C24H29F2N7O4S
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| Molecular Weight |
549.604
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(=O)(=O)C2CC2)c1F)C(C)C
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| InChI |
InChI=1S/C24H29F2N7O4S/c1-13(2)33-12-18(19-7-8-27-23(30-19)28-11-14(3)29-24(34)37-4)22(31-33)17-9-15(25)10-20(21(17)26)32-38(35,36)16-5-6-16/h7-10,12-14,16,32H,5-6,11H2,1-4H3,(H,29,34)(H,27,28,30)/t14-/m0/s1
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| InChIKey |
JUTDCRUMEUQOPM-AWEZNQCLSA-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