General Information of the Compound
| Compound ID |
CP0330124
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| Compound Name |
1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]-1,4-diazepane
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCCNCC1
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| InChI |
InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-5-10-27-11-13-29)16-28-17-23(18)20-14-24(30-2)26(32-4)25(15-20)31-3/h6-9,14-17,27H,5,10-13H2,1-4H3
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| InChIKey |
OSEUWRRDDTUGOT-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