General Information of the Compound
| Compound ID |
CP0038702
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| Compound Name |
6-{3-[1-(2-Diethylamino-ethyl)-1H-benzimidazole-5-carbonyl]-ureido}-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C21H32N6O4
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| Molecular Weight |
432.525
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| Canonical SMILES |
CCN(CC)CCn1cnc2cc(ccc12)C(=O)NC(=O)NCCCCCC(=O)NO
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| InChI |
InChI=1S/C21H32N6O4/c1-3-26(4-2)12-13-27-15-23-17-14-16(9-10-18(17)27)20(29)24-21(30)22-11-7-5-6-8-19(28)25-31/h9-10,14-15,31H,3-8,11-13H2,1-2H3,(H,25,28)(H2,22,24,29,30)
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| InChIKey |
MZMRHGDCPYWCCN-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