General Information of the Compound
| Compound ID |
CP0399733
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| Compound Name |
2-((3-(3-bromo-4-hydroxy-5-methoxybenzyl)thioureido)methyl)-3-(3,4-dimethylphenyl)propyl pivalate
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| Structure |
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| Formula |
C26H35BrN2O4S
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| Molecular Weight |
551.547
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| Canonical SMILES |
COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1O
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| InChI |
InChI=1S/C26H35BrN2O4S/c1-16-7-8-18(9-17(16)2)10-20(15-33-24(31)26(3,4)5)14-29-25(34)28-13-19-11-21(27)23(30)22(12-19)32-6/h7-9,11-12,20,30H,10,13-15H2,1-6H3,(H2,28,29,34)
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| InChIKey |
YIPQHYCSFFCMDP-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