General Information of the Compound
| Compound ID |
CP0415581
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| Compound Name |
4-bromo-N-[2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]ethyl]-N-propylaniline
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| Structure |
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| Formula |
C24H31BrN4
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| Molecular Weight |
455.444
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| Canonical SMILES |
CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C24H31BrN4/c1-2-11-29(23-9-7-21(25)8-10-23)17-16-27-12-14-28(15-13-27)19-22-18-20-5-3-4-6-24(20)26-22/h3-10,18,26H,2,11-17,19H2,1H3
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| InChIKey |
VCGDITFNZVUQSJ-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