General Information of the Compound
| Compound ID |
CP0574730
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| Compound Name |
4-[[6-[4-(4-benzylpiperazin-1-yl)anilino]-9-(3-hydroxypropyl)purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C29H38N8O2
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| Molecular Weight |
530.677
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| Canonical SMILES |
OCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(CCCO)c2n1
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| InChI |
InChI=1S/C29H38N8O2/c38-19-5-4-13-30-29-33-27(26-28(34-29)37(22-31-26)14-6-20-39)32-24-9-11-25(12-10-24)36-17-15-35(16-18-36)21-23-7-2-1-3-8-23/h1-3,7-12,22,38-39H,4-6,13-21H2,(H2,30,32,33,34)
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| InChIKey |
AQKWGYCCCVFSFJ-UHFFFAOYSA-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