General Information of the Compound
| Compound ID |
CP0271509
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| Compound Name |
7-((6-(piperidin-1-yl)pyridin-3-ylsulfonyl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C21H27N3O2S
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| Molecular Weight |
385.533
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| Canonical SMILES |
O=S(=O)(Cc1ccc2CCNCCc2c1)c1ccc(nc1)N1CCCCC1
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| InChI |
InChI=1S/C21H27N3O2S/c25-27(26,16-17-4-5-18-8-10-22-11-9-19(18)14-17)20-6-7-21(23-15-20)24-12-2-1-3-13-24/h4-7,14-15,22H,1-3,8-13,16H2
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| InChIKey |
HCZYORDCFJAXAP-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