General Information of the Compound
| Compound ID |
CP0113994
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| Compound Name |
1-[1-(benzenesulfonyl)indol-4-yl]-6-(3-hydroxyphenyl)naphthalen-2-ol
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| Structure |
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| Formula |
C30H21NO4S
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| Molecular Weight |
491.568
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| Canonical SMILES |
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H21NO4S/c32-23-7-4-6-20(19-23)21-12-14-25-22(18-21)13-15-29(33)30(25)27-10-5-11-28-26(27)16-17-31(28)36(34,35)24-8-2-1-3-9-24/h1-19,32-33H
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| InChIKey |
OIWSTPKQQPZLRW-UHFFFAOYSA-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