General Information of the Compound
| Compound ID |
CP0908415
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
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| Structure |
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| Formula |
C23H21N3S
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| Molecular Weight |
371.509
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| Canonical SMILES |
c1cncc(CN2CCNc3ccc(-c4csc5ccccc45)cc3C2)c1
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| InChI |
InChI=1S/C23H21N3S/c1-2-6-23-20(5-1)21(16-27-23)18-7-8-22-19(12-18)15-26(11-10-25-22)14-17-4-3-9-24-13-17/h1-9,12-13,16,25H,10-11,14-15H2
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| InChIKey |
PURMYQYVAANUIJ-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