General Information of the Compound
| Compound ID |
CP0953826
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| Compound Name |
N,N'-Bis-(4-sec-butyl-phenyl)-N,N'-dimethyl-guanidine hydrochloride
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| Structure |
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| Formula |
C23H34ClN3
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| Molecular Weight |
387.999
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| Canonical SMILES |
CCC(C)c1ccc(N(C)C(=N)N(C)c2ccc(C(C)CC)cc2)cc1.Cl
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| InChI |
InChI=1S/C23H33N3.ClH/c1-7-17(3)19-9-13-21(14-10-19)25(5)23(24)26(6)22-15-11-20(12-16-22)18(4)8-2;/h9-18,24H,7-8H2,1-6H3;1H
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| InChIKey |
JZCJANDEGBHNEQ-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