General Information of the Compound
| Compound ID |
CP0338523
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| Compound Name |
US9133183, Example 42
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| Structure |
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| Formula |
C21H23N7O3
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| Molecular Weight |
421.461
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| Canonical SMILES |
CCN1CCN(C(=O)Nc2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)C1=O
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| InChI |
InChI=1S/C21H23N7O3/c1-4-27-9-10-28(21(27)30)20(29)25-19-6-5-18(14(2)24-19)31-16-7-8-22-17(11-16)15-12-23-26(3)13-15/h5-8,11-13H,4,9-10H2,1-3H3,(H,24,25,29)
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| InChIKey |
ZVDXPHOUNMAVMQ-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: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2