General Information of the Compound
| Compound ID |
CP0394874
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| Compound Name |
4-[3-(1-butyltriazol-4-yl)propoxy]-3-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C32H46N6O4
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| Molecular Weight |
578.758
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| Canonical SMILES |
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)nn1
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| InChI |
InChI=1S/C32H46N6O4/c1-4-5-18-38-25-27(34-35-38)11-10-23-42-30-15-14-26(24-31(30)41-3)32(39)33-16-8-9-17-36-19-21-37(22-20-36)28-12-6-7-13-29(28)40-2/h6-7,12-15,24-25H,4-5,8-11,16-23H2,1-3H3,(H,33,39)
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| InChIKey |
ROYIVTSMYARVGE-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