General Information of the Compound
| Compound ID |
CP0256902
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| Compound Name |
methyl 3-[3-methoxy-9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propanoate
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| Structure |
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| Formula |
C25H23N3O7
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| Molecular Weight |
477.473
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| Canonical SMILES |
COC(=O)CCc1cc2Nc3cc(ccc3C(=O)Nc2cc1OC)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C25H23N3O7/c1-33-22-13-20-19(11-16(22)6-9-24(29)35-3)26-18-10-14(4-7-17(18)25(30)27-20)15-5-8-21(28(31)32)23(12-15)34-2/h4-5,7-8,10-13,26H,6,9H2,1-3H3,(H,27,30)
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| InChIKey |
YSIGYOAWMHUBHA-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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