General Information of the Compound
| Compound ID |
CP0513267
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| Compound Name |
tert-butyl 4-[2-[(2-hydroxy-2-methylpropyl)amino]-6-methoxy-7-phenylmethoxyquinazolin-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C29H39N5O5
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| Molecular Weight |
537.661
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| Canonical SMILES |
COc1cc2c(nc(NCC(C)(C)O)nc2cc1OCc1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H39N5O5/c1-28(2,3)39-27(35)34-14-12-33(13-15-34)25-21-16-23(37-6)24(38-18-20-10-8-7-9-11-20)17-22(21)31-26(32-25)30-19-29(4,5)36/h7-11,16-17,36H,12-15,18-19H2,1-6H3,(H,30,31,32)
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| InChIKey |
YNYFGLNXGNKCPG-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