General Information of the Compound
| Compound ID |
CP0256903
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| Compound Name |
3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C26H22N4O6S
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| Molecular Weight |
518.551
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCc1csc(C)n1)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H22N4O6S/c1-14-27-17(13-37-14)12-36-25-11-20-21(10-24(25)35-3)29-26(31)18-6-4-15(8-19(18)28-20)16-5-7-22(30(32)33)23(9-16)34-2/h4-11,13,28H,12H2,1-3H3,(H,29,31)
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| InChIKey |
BWNZQDARZCNTGP-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
Protein ID: PT00865, Serine/threonine-protein kinase Chk1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000017 | HeLa | Homo sapiens (Human) | 1 |
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EC50 > 59000 nM
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