General Information of the Compound
| Compound ID |
CP0426890
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| Compound Name |
N-[4-(4-benzhydryl-1,4-diazepan-1-yl)butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C31H35N3OS
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| Molecular Weight |
497.708
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| Canonical SMILES |
O=C(NCCCCN1CCCN(CC1)C(c1ccccc1)c1ccccc1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C31H35N3OS/c35-31(29-24-27-16-7-8-17-28(27)36-29)32-18-9-10-19-33-20-11-21-34(23-22-33)30(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-8,12-17,24,30H,9-11,18-23H2,(H,32,35)
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| InChIKey |
ORDQHUBWYZCTMA-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