General Information of the Compound
| Compound ID |
CP0011421
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| Compound Name |
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pentanamide
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| Structure |
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| Formula |
C22H31N5O3
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| Molecular Weight |
413.522
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| Canonical SMILES |
COc1ccc(cc1)-c1c[nH]c(NC(=O)CCCCN2CCCN(CC2)C(C)=O)n1
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| InChI |
InChI=1S/C22H31N5O3/c1-17(28)27-13-5-12-26(14-15-27)11-4-3-6-21(29)25-22-23-16-20(24-22)18-7-9-19(30-2)10-8-18/h7-10,16H,3-6,11-15H2,1-2H3,(H2,23,24,25,29)
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| InChIKey |
JJJIVUQWUUXQLP-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