General Information of the Compound
| Compound ID |
CP0487535
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| Compound Name |
1-[4-(cyclohexylmethoxy)-3-phenylmethoxyphenyl]-2-methylguanidine
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CNC(N)=Nc1ccc(OCC2CCCCC2)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C22H29N3O2/c1-24-22(23)25-19-12-13-20(26-15-17-8-4-2-5-9-17)21(14-19)27-16-18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15-16H2,1H3,(H3,23,24,25)
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| InChIKey |
CPNMTTAKYKDAPT-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