General Information of the Compound
| Compound ID |
CP0504272
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| Compound Name |
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-4-iodo-N-pyridin-2-yladamantane-1-carboxamide
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| Structure |
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| Formula |
C28H35IN4O2
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| Molecular Weight |
586.518
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1
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| InChI |
InChI=1S/C28H35IN4O2/c29-26-21-15-20-16-22(26)19-28(17-20,18-21)27(35)33(25-7-3-4-8-30-25)14-11-31-9-12-32(13-10-31)23-5-1-2-6-24(23)34/h1-8,20-22,26,34H,9-19H2
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| InChIKey |
RTVFEMSFRIRUKX-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