General Information of the Compound
| Compound ID |
CP0518937
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| Compound Name |
N-methyl-6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H28N4O2
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| Molecular Weight |
380.492
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| Canonical SMILES |
CN(Cc1ccc2CCNCCc2c1)C(=O)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C22H28N4O2/c1-25(16-17-2-3-18-6-8-23-9-7-19(18)14-17)22(27)20-4-5-21(24-15-20)26-10-12-28-13-11-26/h2-5,14-15,23H,6-13,16H2,1H3
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| InChIKey |
PMSBGJYGMRMJFN-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