General Information of the Compound
| Compound ID |
CP0573903
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| Compound Name |
4-[[1'-(cyclohexanecarbonyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-3-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C26H26N2O5S
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| Molecular Weight |
478.57
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| Canonical SMILES |
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3Cc3ccc(cc3)C(O)=O)c2c1
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| InChI |
InChI=1S/C26H26N2O5S/c1-16-7-12-21-20(13-16)26(25(33)28(21)23(30)18-5-3-2-4-6-18)27(22(29)15-34-26)14-17-8-10-19(11-9-17)24(31)32/h7-13,18H,2-6,14-15H2,1H3,(H,31,32)
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| InChIKey |
MXKOCXHXNKJBTE-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