General Information of the Compound
| Compound ID |
CP0457577
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| Compound Name |
N-[2-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methoxyaniline
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
COc1ccc(NCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1
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| InChI |
InChI=1S/C22H28N4O/c1-27-21-8-6-19(7-9-21)23-10-11-25-12-14-26(15-13-25)17-20-16-18-4-2-3-5-22(18)24-20/h2-9,16,23-24H,10-15,17H2,1H3
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| InChIKey |
AYASVQUVBANNHG-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