General Information of the Compound
| Compound ID |
CP0209931
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| Compound Name |
(6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
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| Structure |
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| Formula |
C25H28O2S2
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| Molecular Weight |
424.631
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1
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| InChI |
InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1
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| InChIKey |
MZRAFUHMUIHTGW-WOJBJXKFSA-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