General Information of the Compound
| Compound ID |
CP0059816
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| Compound Name |
2,4-dichloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine
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| Structure |
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| Formula |
C18H19Cl2NO
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| Molecular Weight |
336.262
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| Canonical SMILES |
CN1CCc2ccccc2Cc2cc(Cl)c(O)c(Cl)c2CC1
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| InChI |
InChI=1S/C18H19Cl2NO/c1-21-8-6-12-4-2-3-5-13(12)10-14-11-16(19)18(22)17(20)15(14)7-9-21/h2-5,11,22H,6-10H2,1H3
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| InChIKey |
WPJVKYVAARSXKN-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