General Information of the Compound
| Compound ID |
CP0445342
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| Compound Name |
N-[4-(4-benzhydryl-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H33N3OS
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| Molecular Weight |
447.648
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| Canonical SMILES |
O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C27H33N3OS/c31-27(25-15-9-22-32-25)28-16-7-8-17-29-18-10-19-30(21-20-29)26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9,11-15,22,26H,7-8,10,16-21H2,(H,28,31)
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| InChIKey |
FQXALFLSCOKUML-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