General Information of the Compound
| Compound ID |
CP0410999
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| Compound Name |
N-[2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethyl]-4-methoxy-N-propylaniline
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| Structure |
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| Formula |
C26H36N4O
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| Molecular Weight |
420.601
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| Canonical SMILES |
CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C26H36N4O/c1-3-13-30(23-8-10-24(31-2)11-9-23)20-19-29-17-15-28(16-18-29)14-12-22-21-27-26-7-5-4-6-25(22)26/h4-11,21,27H,3,12-20H2,1-2H3
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| InChIKey |
KYSNHZPEWJTUAP-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