General Information of the Compound
| Compound ID |
CP0207472
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| Compound Name |
N-[3-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
462.569
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
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| InChI |
InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)
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| InChIKey |
DXTFDOIEUMNMMV-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor