General Information of the Compound
| Compound ID |
CP0543224
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| Compound Name |
4-[1'-(cyclohexanecarbonyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-3-yl]butanoic acid
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| Structure |
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| Formula |
C22H26N2O5S
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| Molecular Weight |
430.526
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| Canonical SMILES |
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3CCCC(O)=O)c2c1
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| InChI |
InChI=1S/C22H26N2O5S/c1-14-9-10-17-16(12-14)22(23(18(25)13-30-22)11-5-8-19(26)27)21(29)24(17)20(28)15-6-3-2-4-7-15/h9-10,12,15H,2-8,11,13H2,1H3,(H,26,27)
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| InChIKey |
RXXKUWFUMWWTHZ-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