General Information of the Compound
| Compound ID |
CP0291086
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| Compound Name |
(R)-7-(3-(2-chlorophenoxy)pyrrolidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C20H23ClN2O3S
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| Molecular Weight |
406.935
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| Canonical SMILES |
Clc1ccccc1O[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C20H23ClN2O3S/c21-19-3-1-2-4-20(19)26-17-9-12-23(14-17)27(24,25)18-6-5-15-7-10-22-11-8-16(15)13-18/h1-6,13,17,22H,7-12,14H2/t17-/m1/s1
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| InChIKey |
ZKXGFMNPUCAFKG-QGZVFWFLSA-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