General Information of the Compound
| Compound ID |
CP0319919
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| Compound Name |
CHEMBL484119
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| Formula |
C20H18N4O7
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| Molecular Weight |
426.385
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| Canonical SMILES |
COC[C@@H](Cn1ccnc1[N+]([O-])=O)OC(=O)c1ccc(NC=C2C(=O)C=CC2=O)cc1
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| InChI |
InChI=1S/C20H18N4O7/c1-30-12-15(11-23-9-8-21-20(23)24(28)29)31-19(27)13-2-4-14(5-3-13)22-10-16-17(25)6-7-18(16)26/h2-10,15,22H,11-12H2,1H3/t15-/m1/s1
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| InChIKey |
ZFHBIVUDCQWJCX-OAHLLOKOSA-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