General Information of the Compound
| Compound ID |
CP0447243
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| Compound Name |
1-(1-adamantyl)-2-benzyl-3-cyanoguanidine
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| Structure |
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| Formula |
C19H24N4
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| Molecular Weight |
308.429
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| Canonical SMILES |
N#C\N=C(\NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H24N4/c20-13-22-18(21-12-14-4-2-1-3-5-14)23-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-12H2,(H2,21,22,23)
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| InChIKey |
PMBYPLNXTHAYLO-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