General Information of the Compound
| Compound ID |
CP0487599
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| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C33H36ClN3O3S
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| Molecular Weight |
590.189
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)C(C)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C33H36ClN3O3S/c1-3-4-14-30-36-31(34)29(19-35-32(38)28(21-41)22(2)24-10-6-5-7-11-24)37(30)20-23-15-17-25(18-16-23)26-12-8-9-13-27(26)33(39)40/h5-13,15-18,22,28,41H,3-4,14,19-21H2,1-2H3,(H,35,38)(H,39,40)
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| InChIKey |
OEVSLBZMZPFDRC-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