General Information of the Compound
| Compound ID |
CP0410640
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| Compound Name |
1-(6-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione
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| Structure |
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| Formula |
C18H14N4O3S
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| Molecular Weight |
366.402
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| Canonical SMILES |
COc1ccc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1)-c1cccs1
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| InChI |
InChI=1S/C18H14N4O3S/c1-10-8-15(23)22(18(10)24)21-16-12-9-11(25-2)5-6-13(12)19-17(20-16)14-4-3-7-26-14/h3-9H,1-2H3,(H,19,20,21)
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| InChIKey |
WAPBQFRODQBNJI-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