General Information of the Compound
| Compound ID |
CP0232805
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| Compound Name |
2-(4,6-Bis(4-phenylbutoxy)pyrimidin-2-ylthio)hexanoic acid
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| Structure |
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| Formula |
C30H38N2O4S
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| Molecular Weight |
522.711
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| Canonical SMILES |
CCCCC(Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C30H38N2O4S/c1-2-3-20-26(29(33)34)37-30-31-27(35-21-12-10-18-24-14-6-4-7-15-24)23-28(32-30)36-22-13-11-19-25-16-8-5-9-17-25/h4-9,14-17,23,26H,2-3,10-13,18-22H2,1H3,(H,33,34)
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| InChIKey |
WIHMGIAQEOABFS-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