General Information of the Compound
| Compound ID |
CP0468066
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| Compound Name |
1-(1-adamantylmethyl)-3-cyano-2-[(3-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 |
COc1cccc(CN\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1
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| InChI |
InChI=1S/C21H28N4O/c1-26-19-4-2-3-15(8-19)12-23-20(25-14-22)24-13-21-9-16-5-17(10-21)7-18(6-16)11-21/h2-4,8,16-18H,5-7,9-13H2,1H3,(H2,23,24,25)
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| InChIKey |
GPWUKENQAHFSJJ-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