General Information of the Compound
| Compound ID |
CP0270479
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| Compound Name |
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyrazin-2-ylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnccn3)c2)cc1
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| InChI |
InChI=1S/C22H22ClN5O2/c23-18-4-6-19(7-5-18)30-20-3-1-2-17(14-20)16-27-10-12-28(13-11-27)22(29)26-21-15-24-8-9-25-21/h1-9,14-15H,10-13,16H2,(H,25,26,29)
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| InChIKey |
QHAJPNKPMOJDKH-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