General Information of the Compound
| Compound ID |
CP0043434
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| Compound Name |
2-(2-adamantyl)-1-(4-iodophenyl)guanidine
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| Structure |
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| Formula |
C17H22IN3
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| Molecular Weight |
395.288
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| Canonical SMILES |
NC(Nc1ccc(I)cc1)=NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
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| InChIKey |
UUKPIWYXWLJPJF-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