General Information of the Compound
| Compound ID |
CP0449036
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| Compound Name |
(2-Chloro-4-propylamino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
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| Structure |
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
CCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C20H23ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h3-4,7,9-11,14,22H,2,5-6,8,12-13H2,1H3
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| InChIKey |
NJDBQBGRUVDBND-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