General Information of the Compound
| Compound ID |
CP0374762
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| Compound Name |
1-[[4-[4-(1-butyltriazol-4-yl)butoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C29H41N5O3
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| Molecular Weight |
507.679
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| Canonical SMILES |
CCCCn1cc(CCCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
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| InChI |
InChI=1S/C29H41N5O3/c1-4-5-15-34-23-25(30-31-34)10-8-9-20-37-28-14-13-24(21-29(28)36-3)22-32-16-18-33(19-17-32)26-11-6-7-12-27(26)35-2/h6-7,11-14,21,23H,4-5,8-10,15-20,22H2,1-3H3
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| InChIKey |
SVCSCOQWJKNMQT-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
Protein ID: PT01161, D(4) dopamine receptor