General Information of the Compound
| Compound ID |
CP0510334
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| Compound Name |
2-(1-adamantylmethyl)-1-cyano-3-(4-methoxyphenyl)guanidine
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| Structure |
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| Formula |
C20H26N4O
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| Molecular Weight |
338.455
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| Canonical SMILES |
COc1ccc(N\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)cc1
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| InChI |
InChI=1S/C20H26N4O/c1-25-18-4-2-17(3-5-18)24-19(23-13-21)22-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H2,22,23,24)
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| InChIKey |
DZZVXHYQBQXALX-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