General Information of the Compound
| Compound ID |
CP0864588
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| Compound Name |
SID131414872
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| Structure |
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| Formula |
C27H35FN2O6S2
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| Molecular Weight |
566.717
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| Canonical SMILES |
CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C27H35FN2O6S2/c1-19(2)7-6-8-22-9-14-27-25(15-22)36-26(20(3)16-30(21(4)18-31)38(27,34)35)17-29(5)37(32,33)24-12-10-23(28)11-13-24/h9-15,19-21,26,31H,7,16-18H2,1-5H3/t20-,21-,26-/m0/s1
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| InChIKey |
ULJKHWQRDIVXQP-WOVHNISZSA-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