General Information of the Compound
| Compound ID |
CP0399731
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| Compound Name |
2-(3-(4-hydroxy-2-iodo-5-methoxybenzyl)thioureido)-4-(4-tert-butylphenyl)butyl pivalate
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| Structure |
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| Formula |
C28H39IN2O4S
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| Molecular Weight |
626.601
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| Canonical SMILES |
COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)c(I)cc1O
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| InChI |
InChI=1S/C28H39IN2O4S/c1-27(2,3)20-11-8-18(9-12-20)10-13-21(17-35-25(33)28(4,5)6)31-26(36)30-16-19-14-24(34-7)23(32)15-22(19)29/h8-9,11-12,14-15,21,32H,10,13,16-17H2,1-7H3,(H2,30,31,36)
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| InChIKey |
MIOYBJCLFMEWFB-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