General Information of the Compound
| Compound ID |
CP0403996
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| Compound Name |
2-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-pyrimidine
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| Structure |
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| Formula |
C19H20N4S
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| Molecular Weight |
336.464
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| Canonical SMILES |
C(N1CCN(CC1)c1ncccn1)c1cccc(c1)-c1ccsc1
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| InChI |
InChI=1S/C19H20N4S/c1-3-16(13-17(4-1)18-5-12-24-15-18)14-22-8-10-23(11-9-22)19-20-6-2-7-21-19/h1-7,12-13,15H,8-11,14H2
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| InChIKey |
RRLCBKCJYXFQHA-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