General Information of the Compound
| Compound ID |
CP0519090
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| Compound Name |
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C26H28N4OS
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| Molecular Weight |
444.604
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1ccc(cc1)C#N)c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C26H28N4OS/c27-19-21-3-9-25(10-4-21)30-16-14-29(15-17-30)13-2-1-12-28-26(31)23-7-5-22(6-8-23)24-11-18-32-20-24/h3-11,18,20H,1-2,12-17H2,(H,28,31)
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| InChIKey |
YVBCMZPFSJOCJN-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