General Information of the Compound
| Compound ID |
CP0438713
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| Compound Name |
CHEMBL4547030
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| Formula |
C25H30N8O
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| Molecular Weight |
458.57
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C25H30N8O/c26-17-5-7-18(8-6-17)30-25-31-23(22-24(32-25)33(15-28-22)20-3-1-2-4-20)29-19-9-10-21(27-13-19)16-11-12-34-14-16/h9-15,17-18,20H,1-8,26H2,(H2,29,30,31,32)/t17-,18-
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| InChIKey |
PYGTZVRFDCFIIR-IYARVYRRSA-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: PT01092, Platelet-derived growth factor receptor alpha
Cell Viability or Cytotoxicity Assay