General Information of the Compound
| Compound ID |
CP0557775
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| Compound Name |
4-amino-N-(3-bromo-1-prop-2-ynylindazol-4-yl)thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C17H11BrN6OS
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| Molecular Weight |
427.287
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| Canonical SMILES |
Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(CC#C)nc(Br)c12
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| InChI |
InChI=1S/C17H11BrN6OS/c1-2-6-24-11-5-3-4-10(12(11)15(18)23-24)22-17(25)9-7-26-14-13(9)20-8-21-16(14)19/h1,3-5,7-8H,6H2,(H,22,25)(H2,19,20,21)
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| InChIKey |
OQEOGHFANVXOGL-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