General Information of the Compound
| Compound ID |
CP0542283
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| Compound Name |
CHEMBL4457463
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| Formula |
C26H31N9O
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| Molecular Weight |
485.596
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3ncccn3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C26H31N9O/c27-17-6-8-19(9-7-17)32-25-33-23(22-24(34-25)35(16-30-22)20-4-1-2-5-20)31-18-10-12-21(13-11-18)36-26-28-14-3-15-29-26/h3,10-17,19-20H,1-2,4-9,27H2,(H2,31,32,33,34)/t17-,19-
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| InChIKey |
CROOVBCKVGJVKY-UAPYVXQJSA-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