General Information of the Compound
| Compound ID |
CP0435207
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| Compound Name |
N-[4-(4-benzhydrylpiperazin-1-yl)butyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C26H31N3OS
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| Molecular Weight |
433.621
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C26H31N3OS/c30-26(24-14-9-21-31-24)27-15-7-8-16-28-17-19-29(20-18-28)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-14,21,25H,7-8,15-20H2,(H,27,30)
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| InChIKey |
WQUZZFHQRGWHPE-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