General Information of the Compound
| Compound ID |
CP0458046
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| Compound Name |
CHEMBL4475203
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| Formula |
C29H35N7O
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| Molecular Weight |
497.647
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| Canonical SMILES |
COc1ccccc1-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1
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| InChI |
InChI=1S/C29H35N7O/c1-37-25-9-5-4-8-24(25)19-10-14-21(15-11-19)32-27-26-28(36(18-31-26)23-6-2-3-7-23)35-29(34-27)33-22-16-12-20(30)13-17-22/h4-5,8-11,14-15,18,20,22-23H,2-3,6-7,12-13,16-17,30H2,1H3,(H2,32,33,34,35)/t20-,22-
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| InChIKey |
DQQLAGFBSPNAKU-AQYVVDRMSA-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