General Information of the Compound
| Compound ID |
CP0447241
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| Compound Name |
1-[2-(1-adamantyl)ethyl]-2-benzyl-3-cyanoguanidine
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| Structure |
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| Formula |
C21H28N4
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| Molecular Weight |
336.483
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| Canonical SMILES |
N#C\N=C(/NCCC12CC3CC(CC(C3)C1)C2)NCc1ccccc1
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| InChI |
InChI=1S/C21H28N4/c22-15-25-20(24-14-16-4-2-1-3-5-16)23-7-6-21-11-17-8-18(12-21)10-19(9-17)13-21/h1-5,17-19H,6-14H2,(H2,23,24,25)
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| InChIKey |
PRHJXAIBSLOOFP-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