General Information of the Compound
| Compound ID |
CP0009994
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| Compound Name |
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
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| Structure |
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| Formula |
C19H26N4O3
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| Molecular Weight |
358.442
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCOCC2)[nH]n1
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| InChI |
InChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-9-23-10-3-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24)
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| InChIKey |
XXYWJJJEDMYQLQ-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