General Information of the Compound
| Compound ID |
CP0875825
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| Compound Name |
(R,S)-2-(2-Chlorophenyl)-3-(4-chlorophenyl)-N-methyl-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazol-8-amine hydrochloride
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| Structure |
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| Formula |
C20H20Cl3N3O
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| Molecular Weight |
424.759
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| Canonical SMILES |
CNC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1.Cl
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| InChI |
InChI=1S/C20H19Cl2N3O.ClH/c1-23-16-6-4-12-26-20-18(16)24-25(17-7-3-2-5-15(17)22)19(20)13-8-10-14(21)11-9-13;/h2-3,5,7-11,16,23H,4,6,12H2,1H3;1H
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| InChIKey |
ZDGJVKASQPXDJF-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