General Information of the Compound
| Compound ID |
CP0942778
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| Compound Name |
SID144193222
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| Structure |
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| Formula |
C26H27FN2O4S
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| Molecular Weight |
482.577
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| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@H](CO)N3C)cc1
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| InChI |
InChI=1S/C26H27FN2O4S/c1-28-24-12-5-18(17-3-8-20(33-2)9-4-17)15-23(24)26-22(25(28)16-30)13-14-29(26)34(31,32)21-10-6-19(27)7-11-21/h3-12,15,22,25-26,30H,13-14,16H2,1-2H3/t22-,25+,26-/m1/s1
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| InChIKey |
GNSHHRJMKAZSTL-ZSQFBXSQSA-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