General Information of the Compound
| Compound ID |
CP0405824
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| Compound Name |
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
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| Structure |
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| Formula |
C28H24N6O3S
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| Molecular Weight |
524.606
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| Canonical SMILES |
O=S(=O)(N1CCOCC1)c1cccc(Nc2nc(nc3cccc(-c4ccccc4)c23)-c2cncnc2)c1
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| InChI |
InChI=1S/C28H24N6O3S/c35-38(36,34-12-14-37-15-13-34)23-9-4-8-22(16-23)31-28-26-24(20-6-2-1-3-7-20)10-5-11-25(26)32-27(33-28)21-17-29-19-30-18-21/h1-11,16-19H,12-15H2,(H,31,32,33)
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| InChIKey |
KANLFVLXCQSRDA-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