General Information of the Compound
| Compound ID |
CP0458049
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| Compound Name |
CHEMBL4564044
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| Formula |
C27H31BrN8O
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| Molecular Weight |
563.504
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3ccc(Br)cn3)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C27H31BrN8O/c28-17-5-14-23(30-15-17)37-22-12-10-19(11-13-22)32-25-24-26(36(16-31-24)21-3-1-2-4-21)35-27(34-25)33-20-8-6-18(29)7-9-20/h5,10-16,18,20-21H,1-4,6-9,29H2,(H2,32,33,34,35)/t18-,20-
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| InChIKey |
HCVVUXNBEVGUSN-KESTWPANSA-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