General Information of the Compound
| Compound ID |
CP0003698
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| Compound Name |
5-(1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pentanamide
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| Structure |
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| Formula |
C20H29N5O2
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| Molecular Weight |
371.485
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCNCC2)[nH]n1
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| InChI |
InChI=1S/C20H29N5O2/c1-27-17-8-6-16(7-9-17)18-15-19(24-23-18)22-20(26)5-2-3-12-25-13-4-10-21-11-14-25/h6-9,15,21H,2-5,10-14H2,1H3,(H2,22,23,24,26)
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| InChIKey |
UTZCOSNAHHZOGH-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