General Information of the Compound
| Compound ID |
CP0438135
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| Compound Name |
2-[4-[[2-butyl-4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H39N3O3S
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| Molecular Weight |
521.727
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| Canonical SMILES |
CCCCc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C30H39N3O3S/c1-5-7-12-28-32-25(6-2)26(18-31-29(34)27(37)17-20(3)4)33(28)19-21-13-15-22(16-14-21)23-10-8-9-11-24(23)30(35)36/h8-11,13-16,20,27,37H,5-7,12,17-19H2,1-4H3,(H,31,34)(H,35,36)/t27-/m0/s1
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| InChIKey |
NOSFXJFDKDGZMI-MHZLTWQESA-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