General Information of the Compound
| Compound ID |
CP0441011
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| Compound Name |
CHEMBL4444046
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| Formula |
C24H30N10
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| Molecular Weight |
458.574
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cncn2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C24H30N10/c25-16-5-7-18(8-6-16)30-24-31-22(21-23(32-24)33(15-27-21)19-3-1-2-4-19)29-17-9-11-20(12-10-17)34-14-26-13-28-34/h9-16,18-19H,1-8,25H2,(H2,29,30,31,32)/t16-,18-
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| InChIKey |
ZTSPQQZPKLLENR-SAABIXHNSA-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
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GI50 = 1555 nM
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| CL000719 | BJ [Human fibroblast] | Homo sapiens (Human) | 1 |
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GI50 = 14702 nM
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