General Information of the Compound
| Compound ID |
CP0460672
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| Compound Name |
3-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)adamantane-1-carboxamide
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| Structure |
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| Formula |
C29H37IN4O2
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| Molecular Weight |
600.545
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1
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| InChI |
InChI=1S/C29H37IN4O2/c1-36-25-7-3-2-6-24(25)33-13-10-32(11-14-33)12-15-34(26-8-4-5-9-31-26)27(35)28-17-22-16-23(18-28)20-29(30,19-22)21-28/h2-9,22-23H,10-21H2,1H3
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| InChIKey |
UUEYSWOZRCNJJP-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