General Information of the Compound
| Compound ID |
CP0920511
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| Compound Name |
(3-sec-Butyl-phenyl)-[1-(4-sec-butyl-phenyl)-imidazolidin-(2E)-ylidene]-amine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C24H35N3O3S
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| Molecular Weight |
445.629
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| Canonical SMILES |
CCC(C)c1ccc(N2CCN=C2Nc2cccc(C(C)CC)c2)cc1.CS(=O)(=O)O
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| InChI |
InChI=1S/C23H31N3.CH4O3S/c1-5-17(3)19-10-12-22(13-11-19)26-15-14-24-23(26)25-21-9-7-8-20(16-21)18(4)6-2;1-5(2,3)4/h7-13,16-18H,5-6,14-15H2,1-4H3,(H,24,25);1H3,(H,2,3,4)
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| InChIKey |
YHCDXQMLDUYNTD-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