General Information of the Compound
| Compound ID |
CP0466656
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| Compound Name |
tert-butyl 4-[2-(dimethylamino)-7-hydroxy-6-methoxyquinazolin-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C20H29N5O4
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| Molecular Weight |
403.483
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1O)N(C)C)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C20H29N5O4/c1-20(2,3)29-19(27)25-9-7-24(8-10-25)17-13-11-16(28-6)15(26)12-14(13)21-18(22-17)23(4)5/h11-12,26H,7-10H2,1-6H3
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| InChIKey |
LYJFFSMMLGOPHE-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