General Information of the Compound
| Compound ID |
CP0401023
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| Compound Name |
N-[(4-bromophenyl)methyl]-N-[2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]ethyl]propan-1-amine
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| Structure |
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| Formula |
C25H33BrN4
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| Molecular Weight |
469.471
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| Canonical SMILES |
CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)Cc1ccc(Br)cc1
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| InChI |
InChI=1S/C25H33BrN4/c1-2-11-29(19-21-7-9-23(26)10-8-21)15-12-28-13-16-30(17-14-28)20-24-18-22-5-3-4-6-25(22)27-24/h3-10,18,27H,2,11-17,19-20H2,1H3
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| InChIKey |
PHSMQRWSBVFISF-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