General Information of the Compound
| Compound ID |
CP0399416
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| Compound Name |
3-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yladamantane-1-carboxamide
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| Structure |
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| Formula |
C29H37FN4O2
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| Molecular Weight |
492.639
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1
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| InChI |
InChI=1S/C29H37FN4O2/c30-21-28-16-22-15-23(17-28)19-29(18-22,20-28)27(36)34(26-7-3-4-8-31-26)14-11-32-9-12-33(13-10-32)24-5-1-2-6-25(24)35/h1-8,22-23,35H,9-21H2
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| InChIKey |
APYUJYHMHJCFKN-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