General Information of the Compound
| Compound ID |
CP0865946
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| Compound Name |
SID131463399
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| Structure |
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| Formula |
C26H31FN2O3S
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| Molecular Weight |
470.61
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| Canonical SMILES |
CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4F)CCCCN3[C@H]2CO)cc1
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| InChI |
InChI=1S/C26H31FN2O3S/c1-2-3-4-9-20-12-14-21(15-13-20)26-23-18-28(16-7-8-17-29(23)24(26)19-30)33(31,32)25-11-6-5-10-22(25)27/h5-6,10-15,23-24,26,30H,2-3,7-8,16-19H2,1H3/t23-,24+,26-/m1/s1
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| InChIKey |
LGCIZDZJZUDGJK-RMTZWNOUSA-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