General Information of the Compound
| Compound ID |
CP0361443
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| Compound Name |
2-[4-[[4-ethyl-5-[[[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]amino]methyl]-2-propoxyimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H39N3O4S
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| Molecular Weight |
537.726
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| Canonical SMILES |
CCCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C30H39N3O4S/c1-5-15-37-30-32-26(6-2)27(17-31-28(34)23(19-38)16-20(3)4)33(30)18-21-11-13-22(14-12-21)24-9-7-8-10-25(24)29(35)36/h7-14,20,23,38H,5-6,15-19H2,1-4H3,(H,31,34)(H,35,36)/t23-/m1/s1
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| InChIKey |
ADRJQPFHTSNURD-HSZRJFAPSA-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