General Information of the Compound
| Compound ID |
CP0478865
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| Compound Name |
2-[4-[[2-butyl-4-(2-methylpropyl)-5-[[[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C33H45N3O3S
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| Molecular Weight |
563.808
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| Canonical SMILES |
CCCCc1nc(CC(C)C)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C33H45N3O3S/c1-6-7-12-31-35-29(18-23(4)5)30(19-34-32(37)26(21-40)17-22(2)3)36(31)20-24-13-15-25(16-14-24)27-10-8-9-11-28(27)33(38)39/h8-11,13-16,22-23,26,40H,6-7,12,17-21H2,1-5H3,(H,34,37)(H,38,39)/t26-/m1/s1
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| InChIKey |
LDLYNKUKWJPFHZ-AREMUKBSSA-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