General Information of the Compound
| Compound ID |
CP0943349
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| Compound Name |
SID131461605
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| Structure |
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| Formula |
C25H25FN2O4S
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| Molecular Weight |
468.55
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| Canonical SMILES |
COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1F)[C@H](CO)N2
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| InChI |
InChI=1S/C25H25FN2O4S/c1-32-23-8-4-2-6-17(23)16-10-11-21-19(14-16)25-18(22(15-29)27-21)12-13-28(25)33(30,31)24-9-5-3-7-20(24)26/h2-11,14,18,22,25,27,29H,12-13,15H2,1H3/t18-,22+,25-/m1/s1
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| InChIKey |
NLULXTRRVAWLHF-WSUBETFTSA-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