General Information of the Compound
| Compound ID |
CP0382271
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| Compound Name |
N-(4-propan-2-ylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
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| InChI |
InChI=1S/C20H26N4O2.ClH/c1-15(2)16-5-7-17(8-6-16)23-20(25)24-11-10-22-12-18(24)14-26-19-4-3-9-21-13-19;/h3-9,13,15,18,22H,10-12,14H2,1-2H3,(H,23,25);1H
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| InChIKey |
RLGPWCBUEKATEA-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