General Information of the Compound
| Compound ID |
CP0318113
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| Compound Name |
US9133183, Example 101
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| Structure |
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| Formula |
C23H26ClFN6O5
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| Molecular Weight |
520.949
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| Canonical SMILES |
CN(C)C(=O)Nc1cc(Oc2cc(F)c(NC(=O)N3CCN(C4CCOCC4)C3=O)cc2Cl)ccn1
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| InChI |
InChI=1S/C23H26ClFN6O5/c1-29(2)21(32)28-20-11-15(3-6-26-20)36-19-13-17(25)18(12-16(19)24)27-22(33)31-8-7-30(23(31)34)14-4-9-35-10-5-14/h3,6,11-14H,4-5,7-10H2,1-2H3,(H,27,33)(H,26,28,32)
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| InChIKey |
AWTMGZROWMENCS-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