General Information of the Compound
| Compound ID |
CP0298304
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| Compound Name |
1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-piperazine
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| Structure |
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| Formula |
C17H19N3
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| Molecular Weight |
265.36
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| Canonical SMILES |
C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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| InChIKey |
VOPNYIHLMCVSPL-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
Protein ID: PT01161, D(4) dopamine receptor