General Information of the Compound
| Compound ID |
CP0058315
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| Compound Name |
N-(1,2-benzoxazol-3-yl)-4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C25H23ClN4O3
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| Molecular Weight |
462.937
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| Canonical SMILES |
Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4ccccc34)c2)cc1
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| InChI |
InChI=1S/C25H23ClN4O3/c26-19-8-10-20(11-9-19)32-21-5-3-4-18(16-21)17-29-12-14-30(15-13-29)25(31)27-24-22-6-1-2-7-23(22)33-28-24/h1-11,16H,12-15,17H2,(H,27,28,31)
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| InChIKey |
SLGATHDQRPYHNX-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