General Information of the Compound
| Compound ID |
CP0554950
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| Compound Name |
2-methyl-1-[4-(4-phenylbutoxy)-3-phenylmethoxyphenyl]guanidine
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
CNC(N)=Nc1ccc(OCCCCc2ccccc2)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C25H29N3O2/c1-27-25(26)28-22-15-16-23(24(18-22)30-19-21-13-6-3-7-14-21)29-17-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-16,18H,8-9,12,17,19H2,1H3,(H3,26,27,28)
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| InChIKey |
MKGWMUPMHSGPSN-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