General Information of the Compound
| Compound ID |
CP0466655
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| Compound Name |
tert-butyl 4-[2-(dimethylamino)-6-methoxy-7-phenylmethoxyquinazolin-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C27H35N5O4
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| Molecular Weight |
493.608
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCc1ccccc1)N(C)C)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H35N5O4/c1-27(2,3)36-26(33)32-14-12-31(13-15-32)24-20-16-22(34-6)23(35-18-19-10-8-7-9-11-19)17-21(20)28-25(29-24)30(4)5/h7-11,16-17H,12-15,18H2,1-6H3
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| InChIKey |
ZHGGGKATTVIRDT-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