General Information of the Compound
| Compound ID |
CP0012031
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| Compound Name |
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-(5-oxo-1,4-diazepan-1-yl)pentanamide
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| Structure |
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| Formula |
C20H27N5O3
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| Molecular Weight |
385.468
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCNC(=O)CC2)[nH]n1
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| InChI |
InChI=1S/C20H27N5O3/c1-28-16-7-5-15(6-8-16)17-14-18(24-23-17)22-20(27)4-2-3-11-25-12-9-19(26)21-10-13-25/h5-8,14H,2-4,9-13H2,1H3,(H,21,26)(H2,22,23,24,27)
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| InChIKey |
VDQDOBJGSUGYMM-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