General Information of the Compound
| Compound ID |
CP0450101
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| Compound Name |
N-[2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H30N4O3
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| Molecular Weight |
422.529
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| Canonical SMILES |
COc1ccccc1N1CCN(CCC(O)CNC(=O)c2cc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C24H30N4O3/c1-31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)11-10-19(29)17-25-24(30)21-16-18-6-2-3-7-20(18)26-21/h2-9,16,19,26,29H,10-15,17H2,1H3,(H,25,30)
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| InChIKey |
YWTBTOHAYFANIT-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor