General Information of the Compound
| Compound ID |
CP0471437
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| Compound Name |
CHEMBL4757194
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| Formula |
C33H40F2N6O4S
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| Molecular Weight |
654.784
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| Canonical SMILES |
COCCN(C)[C@H]1CC[C@@H](CC1)Nc1ncc2cc(-c3ccc(NS(=O)(=O)Cc4ccc(F)cc4)c(F)c3)c(=O)n(C(C)C)c2n1
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| InChI |
InChI=1S/C33H40F2N6O4S/c1-21(2)41-31-24(19-36-33(38-31)37-26-10-12-27(13-11-26)40(3)15-16-45-4)17-28(32(41)42)23-7-14-30(29(35)18-23)39-46(43,44)20-22-5-8-25(34)9-6-22/h5-9,14,17-19,21,26-27,39H,10-13,15-16,20H2,1-4H3,(H,36,37,38)/t26-,27-
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| InChIKey |
JBQNRMBKELRISE-MCZWQBSQSA-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