General Information of the Compound
| Compound ID |
CP0384655
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| Compound Name |
CHEMBL4577659
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| Formula |
C23H32N2O5S
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| Molecular Weight |
448.585
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| Canonical SMILES |
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C23H32N2O5S/c1-16(29-19-9-11-23(12-10-19)14-22(2,3)28-15-23)21-24-20(25-30-21)18-7-5-17(6-8-18)13-31(4,26)27/h5-8,16,19H,9-15H2,1-4H3/t16?,19-,23+
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| InChIKey |
WAFRCJFBOWCUFJ-NFGBDCEMSA-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