General Information of the Compound
| Compound ID |
CP0215296
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| Compound Name |
N-[4-(3-bromoanilino)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-8-yl]methanesulfonamide
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| Structure |
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| Formula |
C18H16BrN5O3S
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| Molecular Weight |
462.329
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc2Oc3ncnc(Nc4cccc(Br)c4)c3NCc2c1
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| InChI |
InChI=1S/C18H16BrN5O3S/c1-28(25,26)24-14-5-6-15-11(7-14)9-20-16-17(21-10-22-18(16)27-15)23-13-4-2-3-12(19)8-13/h2-8,10,20,24H,9H2,1H3,(H,21,22,23)
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| InChIKey |
JCKYGUUVRSHCJN-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