General Information of the Compound
| Compound ID |
CP0372034
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| Compound Name |
2-(3-(4-hydroxy-3-methoxybenzyl)thioureido)-4-(3,4-dimethylphenyl)butyl pivalate
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| Structure |
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| Formula |
C26H36N2O4S
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| Molecular Weight |
472.651
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| Canonical SMILES |
COc1cc(CNC(=S)NC(CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)ccc1O
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| InChI |
InChI=1S/C26H36N2O4S/c1-17-7-8-19(13-18(17)2)9-11-21(16-32-24(30)26(3,4)5)28-25(33)27-15-20-10-12-22(29)23(14-20)31-6/h7-8,10,12-14,21,29H,9,11,15-16H2,1-6H3,(H2,27,28,33)
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| InChIKey |
OZIVKTYPDVHLIB-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