General Information of the Compound
| Compound ID |
CP0540096
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| Compound Name |
CHEMBL4748828
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| Formula |
C28H34F5N7O3S
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| Molecular Weight |
643.683
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| Canonical SMILES |
CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)N(C)C)ncc2nc(-c2cc(F)c(NS(=O)(=O)CC3(CC3)C(F)(F)F)c(F)c2)c1=O
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| InChI |
InChI=1S/C28H34F5N7O3S/c1-15(2)40-24-21(13-34-26(37-24)35-17-5-7-18(8-6-17)39(3)4)36-22(25(40)41)16-11-19(29)23(20(30)12-16)38-44(42,43)14-27(9-10-27)28(31,32)33/h11-13,15,17-18,38H,5-10,14H2,1-4H3,(H,34,35,37)/t17-,18-
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| InChIKey |
VOCWTHWZZNIIJA-IYARVYRRSA-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