General Information of the Compound
| Compound ID |
CP0578495
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| Compound Name |
US9034921, E166
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| Structure |
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| Formula |
C21H23ClO6
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| Molecular Weight |
406.862
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccccc2)c(Cl)c2OCCc12
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| InChI |
InChI=1S/C21H23ClO6/c22-16-12(8-11-4-2-1-3-5-11)9-14(13-6-7-27-20(13)16)21-19(26)18(25)17(24)15(10-23)28-21/h1-5,9,15,17-19,21,23-26H,6-8,10H2/t15-,17-,18+,19-,21+/m1/s1
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| InChIKey |
XEUOMEGOBLAVOZ-UVPIGPOJSA-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