General Information of the Compound
| Compound ID |
CP0895676
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| Compound Name |
4-Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl-piperazine-1-carbothioic acid [4-(pyrimidin-2-ylsulfamoyl)-phenyl]-amide
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| Structure |
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| Formula |
C24H21N9O2S3
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| Molecular Weight |
563.694
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| Canonical SMILES |
O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(c3ncnc4c3sc3ncccc34)CC2)cc1
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| InChI |
InChI=1S/C24H21N9O2S3/c34-38(35,31-23-26-9-2-10-27-23)17-6-4-16(5-7-17)30-24(36)33-13-11-32(12-14-33)21-20-19(28-15-29-21)18-3-1-8-25-22(18)37-20/h1-10,15H,11-14H2,(H,30,36)(H,26,27,31)
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| InChIKey |
RGYOJSWPGOIDEA-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