General Information of the Compound
Compound ID |
CP0897940
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Compound Name |
4-[4-(3-Benzo[b]thiophen-3-yl-3-oxopropyl)-[1,4]-diazepan-1-yl]benzonitrile
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Structure |
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Formula |
C23H23N3OS
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Molecular Weight |
389.524
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Canonical SMILES |
N#Cc1ccc(N2CCCN(CCC(=O)c3csc4ccccc34)CC2)cc1
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InChI |
InChI=1S/C23H23N3OS/c24-16-18-6-8-19(9-7-18)26-12-3-11-25(14-15-26)13-10-22(27)21-17-28-23-5-2-1-4-20(21)23/h1-2,4-9,17H,3,10-15H2
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InChIKey |
OCUYPDIHOCKJNR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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