General Information of the Compound
| Compound ID |
CP0438124
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| Compound Name |
tert-butyl 4-[6-methoxy-2-(4-methylpiperazin-1-yl)-7-phenylmethoxyquinazolin-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C30H40N6O4
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| Molecular Weight |
548.688
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCc1ccccc1)N1CCN(C)CC1)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C30H40N6O4/c1-30(2,3)40-29(37)36-17-15-34(16-18-36)27-23-19-25(38-5)26(39-21-22-9-7-6-8-10-22)20-24(23)31-28(32-27)35-13-11-33(4)12-14-35/h6-10,19-20H,11-18,21H2,1-5H3
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| InChIKey |
IQOQMPJXSXBXJK-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