General Information of the Compound
| Compound ID |
CP0431412
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| Compound Name |
(E)-N-[4-[(1-benzylindazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C29H28N8O
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| Molecular Weight |
504.598
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| Canonical SMILES |
O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C29H28N8O/c38-28(9-6-14-36-12-4-5-13-36)35-27-16-24-25(18-30-27)31-20-32-29(24)34-23-10-11-26-22(15-23)17-33-37(26)19-21-7-2-1-3-8-21/h1-3,6-11,15-18,20H,4-5,12-14,19H2,(H,30,35,38)(H,31,32,34)/b9-6+
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| InChIKey |
KIMIFWRATWXZEO-RMKNXTFCSA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Protein ID: PT00892, Tyrosine-protein kinase JAK3