General Information of the Compound
| Compound ID |
CP0377265
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| Compound Name |
CHEMBL487561
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| Formula |
C17H24O7S
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| Molecular Weight |
372.439
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| Canonical SMILES |
C[C@]1(OC[C@H](CCCCc2ccc(OS(C)(=O)=O)cc2)CO1)C(O)=O
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| InChI |
InChI=1S/C17H24O7S/c1-17(16(18)19)22-11-14(12-23-17)6-4-3-5-13-7-9-15(10-8-13)24-25(2,20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)/t14-,17+
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| InChIKey |
FJQFTOSUQJUUCB-KDYLLFBJSA-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