General Information of the Compound
| Compound ID |
CP0702725
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| Compound Name |
rac-endo-N-Phenyl-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo-[2.2.1]hept-5-ene-2,3-dicarboxamide-7-oxide
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| Structure |
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| Formula |
C28H23NO5S
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| Molecular Weight |
485.561
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| Canonical SMILES |
Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]1[S+]2[O-]
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| InChI |
InChI=1S/C28H23NO5S/c1-14-12-17(30)8-10-19(14)21-22(20-11-9-18(31)13-15(20)2)26-24-23(25(21)35(26)34)27(32)29(28(24)33)16-6-4-3-5-7-16/h3-13,23-26,30-31H,1-2H3/t23-,24+,25-,26+,35?
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| InChIKey |
SIWRJKBDTNZRNI-NSXLWGIXSA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta