General Information of the Compound
| Compound ID |
CP0172633
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
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| Structure |
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| Formula |
C27H36N6O3
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| Molecular Weight |
492.624
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| Canonical SMILES |
COc1ccc(Cn2nnc(C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2C)cc1
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| InChI |
InChI=1S/C27H36N6O3/c1-21-26(29-30-33(21)20-22-10-12-23(35-2)13-11-22)27(34)28-14-6-7-15-31-16-18-32(19-17-31)24-8-4-5-9-25(24)36-3/h4-5,8-13H,6-7,14-20H2,1-3H3,(H,28,34)
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| InChIKey |
FYWWZJPZGSOQHH-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor