General Information of the Compound
| Compound ID |
CP0103447
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| Compound Name |
3-methoxy-2-[2-(2-methoxyethoxy)ethoxy]-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C26H27N3O8
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| Molecular Weight |
509.515
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| Canonical SMILES |
COCCOCCOc1cc2Nc3cc(ccc3C(=O)Nc2cc1OC)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H27N3O8/c1-33-8-9-36-10-11-37-25-15-20-21(14-24(25)35-3)28-26(30)18-6-4-16(12-19(18)27-20)17-5-7-22(29(31)32)23(13-17)34-2/h4-7,12-15,27H,8-11H2,1-3H3,(H,28,30)
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| InChIKey |
NEBGXTLUPGUEBC-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 |
| 1 |
EC50 = 52000 nM
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