General Information of the Compound
| Compound ID |
CP0399095
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| Compound Name |
7-(4-(3-chlorophenoxy)piperidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C21H25ClN2O3S
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| Molecular Weight |
420.962
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| Canonical SMILES |
Clc1cccc(OC2CCN(CC2)S(=O)(=O)c2ccc3CCNCCc3c2)c1
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| InChI |
InChI=1S/C21H25ClN2O3S/c22-18-2-1-3-20(15-18)27-19-8-12-24(13-9-19)28(25,26)21-5-4-16-6-10-23-11-7-17(16)14-21/h1-5,14-15,19,23H,6-13H2
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| InChIKey |
XZQZILUDMJUORR-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