General Information of the Compound
| Compound ID |
CP0573185
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| Compound Name |
5-Dibutylamino-pentanoic acid [(S)-1-(4-butyl-pyridin-2-yl)-2-cyclohexyl-ethyl]-amide
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| Structure |
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| Formula |
C30H53N3O
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| Molecular Weight |
471.774
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| Canonical SMILES |
CCCCN(CCCC)CCCCC(=O)N[C@@H](CC1CCCCC1)c1cc(CCCC)ccn1
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| InChI |
InChI=1S/C30H53N3O/c1-4-7-15-27-19-20-31-28(24-27)29(25-26-16-11-10-12-17-26)32-30(34)18-13-14-23-33(21-8-5-2)22-9-6-3/h19-20,24,26,29H,4-18,21-23,25H2,1-3H3,(H,32,34)/t29-/m0/s1
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| InChIKey |
ZLINJWAUHWOYCM-LJAQVGFWSA-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