General Information of the Compound
| Compound ID |
CP0361444
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| Compound Name |
2-[4-[[4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]-2-propoxyimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C29H37N3O4S
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| Molecular Weight |
523.699
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| Canonical SMILES |
CCCOc1nc(CC)c(CNC(=O)[C@@H](S)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C29H37N3O4S/c1-5-15-36-29-31-24(6-2)25(17-30-27(33)26(37)16-19(3)4)32(29)18-20-11-13-21(14-12-20)22-9-7-8-10-23(22)28(34)35/h7-14,19,26,37H,5-6,15-18H2,1-4H3,(H,30,33)(H,34,35)/t26-/m0/s1
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| InChIKey |
NTLHWTOYJZOKBQ-SANMLTNESA-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