General Information of the Compound
| Compound ID |
CP0238014
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| Compound Name |
5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
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| InChI |
InChI=1S/C25H29N5O3/c1-32-16-15-29-11-13-30(14-12-29)22-7-8-24(33-19-20-5-3-2-4-6-20)23(17-22)25(31)28-21-9-10-26-27-18-21/h2-10,17-18H,11-16,19H2,1H3,(H,26,28,31)
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| InChIKey |
AJKHEQUQNWCJNL-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