General Information of the Compound
| Compound ID |
CP0210099
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| Compound Name |
naphthalen-1-yl (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C30H26O6S2
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| Molecular Weight |
546.666
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| Canonical SMILES |
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)cc1C
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| InChI |
InChI=1S/C30H26O6S2/c1-17-14-20(31)10-12-22(17)28-26-16-27(30(37(26)33)29(28)23-13-11-21(32)15-18(23)2)38(34,35)36-25-9-5-7-19-6-3-4-8-24(19)25/h3-15,26-27,30-32H,16H2,1-2H3/t26-,27-,30+,37?/m0/s1
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| InChIKey |
WJBUWIXSTXRJAN-NSAQGAKVSA-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