General Information of the Compound
| Compound ID |
CP0372038
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| Compound Name |
2-(3-(4-hydroxy-3-methoxybenzyl)thioureido)-4-(4-tert-butylphenyl)butyl pivalate
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| Structure |
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| Formula |
C28H40N2O4S
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| Molecular Weight |
500.705
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| Canonical SMILES |
COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)ccc1O
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| InChI |
InChI=1S/C28H40N2O4S/c1-27(2,3)21-12-8-19(9-13-21)10-14-22(18-34-25(32)28(4,5)6)30-26(35)29-17-20-11-15-23(31)24(16-20)33-7/h8-9,11-13,15-16,22,31H,10,14,17-18H2,1-7H3,(H2,29,30,35)
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| InChIKey |
APIDLQZBNRPVKZ-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