General Information of the Compound
| Compound ID |
CP0528882
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| Compound Name |
N-[(4-bromophenyl)methyl]-2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]ethanamine
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| Structure |
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| Formula |
C22H27BrN4
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| Molecular Weight |
427.39
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| Canonical SMILES |
Brc1ccc(CNCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1
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| InChI |
InChI=1S/C22H27BrN4/c23-20-7-5-18(6-8-20)16-24-9-10-26-11-13-27(14-12-26)17-21-15-19-3-1-2-4-22(19)25-21/h1-8,15,24-25H,9-14,16-17H2
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| InChIKey |
JNZRXFXWSIACHM-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