General Information of the Compound
| Compound ID |
CP0242468
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| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[2-[(4-phenylphenyl)methyl]-3-sulfanylpropanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C38H38ClN3O3S
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| Molecular Weight |
652.26
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2ccc(cc2)-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C38H38ClN3O3S/c1-2-3-13-35-41-36(39)34(42(35)24-27-16-20-30(21-17-27)32-11-7-8-12-33(32)38(44)45)23-40-37(43)31(25-46)22-26-14-18-29(19-15-26)28-9-5-4-6-10-28/h4-12,14-21,31,46H,2-3,13,22-25H2,1H3,(H,40,43)(H,44,45)
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| InChIKey |
DCFHIJUMSSXYCJ-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