General Information of the Compound
| Compound ID |
CP0195264
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| Compound Name |
2-(2-hydroxyethoxy)-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C23H21N3O7
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| Molecular Weight |
451.435
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCCO)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H21N3O7/c1-31-20-10-14(4-6-19(20)26(29)30)13-3-5-15-16(9-13)24-17-12-22(33-8-7-27)21(32-2)11-18(17)25-23(15)28/h3-6,9-12,24,27H,7-8H2,1-2H3,(H,25,28)
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| InChIKey |
YFECXGPDRODCND-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 > 59000 nM
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