General Information of the Compound
| Compound ID |
CP0896650
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| Compound Name |
9-Chloro-2-(3,4-dimethoxyphenylamino)-5H-benzo[b]-pyrimido[4,5-d]azepin-6(7H)-one
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| Structure |
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| Formula |
C20H17ClN4O3
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| Molecular Weight |
396.834
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| Canonical SMILES |
COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1OC
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| InChI |
InChI=1S/C20H17ClN4O3/c1-27-16-6-4-13(9-17(16)28-2)23-20-22-10-11-7-18(26)24-15-8-12(21)3-5-14(15)19(11)25-20/h3-6,8-10H,7H2,1-2H3,(H,24,26)(H,22,23,25)
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| InChIKey |
LRTOGYJDCDDAJR-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