General Information of the Compound
| Compound ID |
CP0553894
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| Compound Name |
US9035059, 6-27
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| Structure |
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| Formula |
C31H40FN3O3S
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| Molecular Weight |
553.744
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| Canonical SMILES |
CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(Cc4ccc(nc4)C(C)(C)C)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C31H40FN3O3S/c1-5-6-7-8-17-38-26-11-13-29(28(32)19-26)34-39(36,37)27-12-10-25-22-35(16-15-24(25)18-27)21-23-9-14-30(33-20-23)31(2,3)4/h9-14,18-20,34H,5-8,15-17,21-22H2,1-4H3
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| InChIKey |
MCDKBRBHEAGLOW-UHFFFAOYSA-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