General Information of the Compound
| Compound ID |
CP0881758
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| Compound Name |
4-Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide
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| Structure |
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| Formula |
C22H20N6O2S2
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| Molecular Weight |
464.576
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| Canonical SMILES |
S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2sc2ncccc23)CC1
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| InChI |
InChI=1S/C22H20N6O2S2/c31-22(24-11-14-3-4-16-17(10-14)30-13-29-16)28-8-6-27(7-9-28)20-19-18(25-12-26-20)15-2-1-5-23-21(15)32-19/h1-5,10,12H,6-9,11,13H2,(H,24,31)
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| InChIKey |
LYPZZJCXKBVUPO-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha