General Information of the Compound
| Compound ID |
CP0466451
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| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[4-ethyl-2-(sulfanylmethyl)hexanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H40ClN3O3S
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| Molecular Weight |
570.199
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)CC(CC)CC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C31H40ClN3O3S/c1-4-7-12-28-34-29(32)27(18-33-30(36)24(20-39)17-21(5-2)6-3)35(28)19-22-13-15-23(16-14-22)25-10-8-9-11-26(25)31(37)38/h8-11,13-16,21,24,39H,4-7,12,17-20H2,1-3H3,(H,33,36)(H,37,38)
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| InChIKey |
YYPVNXPFSJDVAO-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