General Information of the Compound
| Compound ID |
CP0256905
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| Compound Name |
2-(4-hydroxybutoxy)-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 |
C25H25N3O7
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| Molecular Weight |
479.489
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCCCCO)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C25H25N3O7/c1-33-22-12-16(6-8-21(22)28(31)32)15-5-7-17-18(11-15)26-19-14-24(35-10-4-3-9-29)23(34-2)13-20(19)27-25(17)30/h5-8,11-14,26,29H,3-4,9-10H2,1-2H3,(H,27,30)
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| InChIKey |
HMVUIVBJUIHLPF-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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