General Information of the Compound
| Compound ID |
CP0411170
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| Compound Name |
6-morpholin-4-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H24N4O2
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| Molecular Weight |
352.438
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| Canonical SMILES |
O=C(Nc1ccc2CCNCCc2c1)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C20H24N4O2/c25-20(17-2-4-19(22-14-17)24-9-11-26-12-10-24)23-18-3-1-15-5-7-21-8-6-16(15)13-18/h1-4,13-14,21H,5-12H2,(H,23,25)
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| InChIKey |
DIXPUJYHGIQDPR-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