General Information of the Compound
| Compound ID |
CP0447239
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| Compound Name |
1-(1-adamantylmethyl)-3-cyano-2-[(2-methoxyphenyl)methyl]guanidine
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
COc1ccccc1CN\C(NCC12CC3CC(CC(C3)C1)C2)=N\C#N
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| InChI |
InChI=1S/C21H28N4O/c1-26-19-5-3-2-4-18(19)12-23-20(25-14-22)24-13-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H2,23,24,25)
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| InChIKey |
SQIYLIDQJIZDBX-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