General Information of the Compound
| Compound ID |
CP0466479
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| Compound Name |
1-(6-(1,3-dithiolan-2-yl)-2,2-dimethyl-2H-chromen-5-yl) 3-ethyl 2-(3-phenylallylidene)malonate
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| Structure |
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| Formula |
C28H28O5S2
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| Molecular Weight |
508.661
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| Canonical SMILES |
CCOC(=O)C(=C\C=C\c1ccccc1)\C(=O)Oc1c(ccc2OC(C)(C)C=Cc12)C1SCCS1
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| InChI |
InChI=1S/C28H28O5S2/c1-4-31-25(29)22(12-8-11-19-9-6-5-7-10-19)26(30)32-24-20-15-16-28(2,3)33-23(20)14-13-21(24)27-34-17-18-35-27/h5-16,27H,4,17-18H2,1-3H3/b11-8+,22-12-
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| InChIKey |
HKHBYZIJGZFDIT-KJMLGPIDSA-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