General Information of the Compound
| Compound ID |
CP0410688
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| Compound Name |
tert-butyl 4-[6,7-dimethoxy-2-(4-methylsulfonylanilino)quinazolin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C27H34N4O7S
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| Molecular Weight |
558.657
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| Canonical SMILES |
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(OC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
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| InChI |
InChI=1S/C27H34N4O7S/c1-27(2,3)38-26(32)31-13-11-18(12-14-31)37-24-20-15-22(35-4)23(36-5)16-21(20)29-25(30-24)28-17-7-9-19(10-8-17)39(6,33)34/h7-10,15-16,18H,11-14H2,1-6H3,(H,28,29,30)
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| InChIKey |
PMNRPLNHHUMDRO-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