General Information of the Compound
| Compound ID |
CP0500395
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| Compound Name |
tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)-6,7-dimethoxyquinazolin-2-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C27H33FN4O7S
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| Molecular Weight |
576.647
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| Canonical SMILES |
COc1cc2nc(OC3CCN(CC3)C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC
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| InChI |
InChI=1S/C27H33FN4O7S/c1-27(2,3)39-26(33)32-11-9-16(10-12-32)38-25-30-21-15-23(37-5)22(36-4)14-18(21)24(31-25)29-20-8-7-17(13-19(20)28)40(6,34)35/h7-8,13-16H,9-12H2,1-6H3,(H,29,30,31)
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| InChIKey |
LKPXZJQEADKKBK-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