General Information of the Compound
| Compound ID |
CP0541000
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| Compound Name |
6-(3-chloro-11-ethyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H20ClN3O
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| Molecular Weight |
377.875
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| Canonical SMILES |
CCN1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
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| InChI |
InChI=1S/C22H20ClN3O/c1-2-26-20-10-8-14(18-4-3-5-19(25-18)22(24)27)12-15(20)6-7-16-13-17(23)9-11-21(16)26/h3-5,8-13H,2,6-7H2,1H3,(H2,24,27)
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| InChIKey |
QLZVMWKHFUDCAB-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