General Information of the Compound
| Compound ID |
CP0942587
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| Compound Name |
SID131425986
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| Structure |
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| Formula |
C31H33FN2O5S
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| Molecular Weight |
564.679
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C31H33FN2O5S/c1-22-19-34(23(2)21-35)40(37,38)30-16-14-25(13-15-26-11-7-8-12-27(26)32)17-28(30)39-29(22)20-33(3)31(36)18-24-9-5-4-6-10-24/h4-12,14,16-17,22-23,29,35H,18-21H2,1-3H3/t22-,23+,29+/m1/s1
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| InChIKey |
ZWIWLPQXFVXUPT-AFKLWXAFSA-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