General Information of the Compound
| Compound ID |
CP0908331
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| Compound Name |
8-(Benzo[b]thiophen-3-yl)-2-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
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| Structure |
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| Formula |
C24H22N2S
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| Molecular Weight |
370.521
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| Canonical SMILES |
c1cncc(CN2CCCc3ccc(-c4csc5ccccc45)cc3C2)c1
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| InChI |
InChI=1S/C24H22N2S/c1-2-8-24-22(7-1)23(17-27-24)20-10-9-19-6-4-12-26(16-21(19)13-20)15-18-5-3-11-25-14-18/h1-3,5,7-11,13-14,17H,4,6,12,15-16H2
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| InChIKey |
OUIYQRYTMPYCJH-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