General Information of the Compound
| Compound ID |
CP0143998
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| Compound Name |
1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
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| Synonyms |
LDN-214117
compound 10 [PMID: 25101911]
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3
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| InChIKey |
BHUXVRVMMYAXKN-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
Protein ID: PT01129, Activin receptor type-1
Protein ID: PT01340, Bone morphogenetic protein receptor type-1A
Protein ID: PT01879, Serine/threonine-protein kinase receptor R3
Protein ID: PT01221, TGF-beta receptor type-1
Clinical Information about the Compound