General Information of the Compound
| Compound ID |
CP0445178
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| Compound Name |
(8-Methyl-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-(2-pyridin-2-yl-ethyl)-amine
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| Structure |
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| Formula |
C20H19N5
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| Molecular Weight |
329.407
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| Canonical SMILES |
Cc1ccc2Nc3ncccc3N=C(NCCc3ccccn3)c2c1
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| InChI |
InChI=1S/C20H19N5/c1-14-7-8-17-16(13-14)19(23-12-9-15-5-2-3-10-21-15)25-18-6-4-11-22-20(18)24-17/h2-8,10-11,13H,9,12H2,1H3,(H,22,24)(H,23,25)
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| InChIKey |
OTWVRWHEDUJUNV-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