General Information of the Compound
| Compound ID |
CP0265351
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| Compound Name |
6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzimidazole-5-carbonyl]-ureido}-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C29H38N6O4
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| Molecular Weight |
534.661
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
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| InChI |
InChI=1S/C29H38N6O4/c36-27(33-39)11-5-2-6-16-30-29(38)32-28(37)23-13-14-25-24(21-23)31-26(15-12-22-9-3-1-4-10-22)35(25)20-19-34-17-7-8-18-34/h1,3-4,9-10,13-14,21,39H,2,5-8,11-12,15-20H2,(H,33,36)(H2,30,32,37,38)
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| InChIKey |
FLEMUVTXATYOIZ-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