General Information of the Compound
| Compound ID |
CP0499403
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| Compound Name |
1-(2-adamantyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
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| Structure |
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| Formula |
C19H26IN
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| Molecular Weight |
395.328
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| Canonical SMILES |
CN(CC1C2CC3CC(C2)CC1C3)Cc1ccc(I)cc1
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| InChI |
InChI=1S/C19H26IN/c1-21(11-13-2-4-18(20)5-3-13)12-19-16-7-14-6-15(9-16)10-17(19)8-14/h2-5,14-17,19H,6-12H2,1H3
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| InChIKey |
VFBDIKFFXNDETQ-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