General Information of the Compound
| Compound ID |
CP0900396
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| Compound Name |
SID131461232
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| Structure |
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| Formula |
C26H24FN3O3S
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| Molecular Weight |
477.561
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| Canonical SMILES |
CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO
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| InChI |
InChI=1S/C26H24FN3O3S/c1-29-23-10-9-19(18-6-4-5-17(13-18)15-28)14-21(23)26-20(24(29)16-31)11-12-30(26)34(32,33)25-8-3-2-7-22(25)27/h2-10,13-14,20,24,26,31H,11-12,16H2,1H3/t20-,24-,26-/m1/s1
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| InChIKey |
YTQKDGXPJIZGCL-OLLUBJOZSA-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