General Information of the Compound
| Compound ID |
CP0908684
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| Compound Name |
SID144192109
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| Structure |
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| Formula |
C28H25FN2O4S
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| Molecular Weight |
504.583
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| Canonical SMILES |
O=C1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H](CO)N12
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| InChI |
InChI=1S/C28H25FN2O4S/c29-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)28-25-16-30(17-27(33)31(25)26(28)18-32)36(34,35)19-22-4-2-1-3-5-22/h1-5,8-15,25-26,28,32H,16-19H2/t25-,26-,28-/m1/s1
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| InChIKey |
PVQYEQUPQJMLTR-STROYTFGSA-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