General Information of the Compound
| Compound ID |
CP0679282
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| Compound Name |
4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-methyl-4-p-tolenesulfonamido-2-naphthalenyl)methyl]benzoic acid
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| Structure |
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| Formula |
C30H35NO4S
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| Molecular Weight |
505.68
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2c(C)c(Cc3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1
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| InChI |
InChI=1S/C30H35NO4S/c1-19-7-13-24(14-8-19)36(34,35)31-27-20(2)23(17-21-9-11-22(12-10-21)28(32)33)18-25-26(27)30(5,6)16-15-29(25,3)4/h7-14,18,31H,15-17H2,1-6H3,(H,32,33)
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| InChIKey |
WTZIWMGFWYHIQE-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