General Information of the Compound
| Compound ID |
CP0345034
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| Compound Name |
CHEMBL490266
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| Formula |
C29H28N4O7
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| Molecular Weight |
544.564
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| Canonical SMILES |
CC(C)(C)c1ccc(OC[C@@H](Cn2ccnc2[N+]([O-])=O)OC(=O)c2ccc(NC=C3C(=O)C=CC3=O)cc2)cc1
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| InChI |
InChI=1S/C29H28N4O7/c1-29(2,3)20-6-10-22(11-7-20)39-18-23(17-32-15-14-30-28(32)33(37)38)40-27(36)19-4-8-21(9-5-19)31-16-24-25(34)12-13-26(24)35/h4-16,23,31H,17-18H2,1-3H3/t23-/m1/s1
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| InChIKey |
NUMKSDJRUKJUOU-HSZRJFAPSA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT06961, Matrix metalloproteinase-9
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Cell Viability or Cytotoxicity Assay