General Information of the Compound
| Compound ID |
CP0337570
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| Compound Name |
3-(4-piperazin-1-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine-4-carbonitrile
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
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| InChI |
InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3
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| InChIKey |
YPTIRJISDXITNF-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