General Information of the Compound
| Compound ID |
CP0215193
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| Compound Name |
3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C27H27N3O7
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| Molecular Weight |
505.527
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| Canonical SMILES |
COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCC1CCCCO1)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C27H27N3O7/c1-34-24-12-17(7-9-23(24)30(32)33)16-6-8-19-20(11-16)28-21-14-26(37-15-18-5-3-4-10-36-18)25(35-2)13-22(21)29-27(19)31/h6-9,11-14,18,28H,3-5,10,15H2,1-2H3,(H,29,31)
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| InChIKey |
AYTPWIWTAIZNIQ-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 = 2000 nM
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