General Information of the Compound
| Compound ID |
CP0553992
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| Compound Name |
N-(1-methylpyrazol-3-yl)-4-phenoxybutanamide
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| Structure |
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| Formula |
C14H17N3O2
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| Molecular Weight |
259.309
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| Canonical SMILES |
Cn1ccc(NC(=O)CCCOc2ccccc2)n1
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| InChI |
InChI=1S/C14H17N3O2/c1-17-10-9-13(16-17)15-14(18)8-5-11-19-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16,18)
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| InChIKey |
JVTPSPSGEKTOST-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