General Information of the Compound
| Compound ID |
CP0372286
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| Compound Name |
2-(3-(3-chloro-4-hydroxy-5-methoxybenzyl)thioureido)-3-(4-tert-butylphenyl)propyl pivalate
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| Structure |
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| Formula |
C27H37ClN2O4S
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| Molecular Weight |
521.123
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| Canonical SMILES |
COc1cc(CNC(=S)NC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Cl)c1O
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| InChI |
InChI=1S/C27H37ClN2O4S/c1-26(2,3)19-10-8-17(9-11-19)12-20(16-34-24(32)27(4,5)6)30-25(35)29-15-18-13-21(28)23(31)22(14-18)33-7/h8-11,13-14,20,31H,12,15-16H2,1-7H3,(H2,29,30,35)
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| InChIKey |
SRQJMFAOLIYUHY-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