General Information of the Compound
| Compound ID |
CP0432259
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| Compound Name |
4-(6,7-Dimethoxy-2-methyl-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H29N5O4
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| Molecular Weight |
499.571
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| Canonical SMILES |
COc1cc2nc(C)nc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
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| InChI |
InChI=1S/C28H29N5O4/c1-19-29-24-18-26(36-3)25(35-2)17-23(24)27(30-19)32-13-15-33(16-14-32)28(34)31-20-9-11-22(12-10-20)37-21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3,(H,31,34)
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| InChIKey |
YXGHGECPQJUHKM-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