General Information of the Compound
| Compound ID |
CP0890224
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| Compound Name |
SID144197423
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| Structure |
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| Formula |
C22H28N2O4S
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| Molecular Weight |
416.543
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| Canonical SMILES |
CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1
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| InChI |
InChI=1S/C22H28N2O4S/c1-29(27,28)23-13-19-22(20(15-25)24(19)21(26)14-23)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,13-15H2,1H3/t19-,20-,22-/m1/s1
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| InChIKey |
ZSUKBHXIWPHONU-KCZVDYSFSA-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