General Information of the Compound
| Compound ID |
CP0575535
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| Compound Name |
6-methoxy-N-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-7-phenylmethoxyquinazolin-2-amine
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
COc1ccc(CNc2nc(N3CCN(C)CC3)c3cc(OC)c(OCc4ccccc4)cc3n2)cc1
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| InChI |
InChI=1S/C29H33N5O3/c1-33-13-15-34(16-14-33)28-24-17-26(36-3)27(37-20-22-7-5-4-6-8-22)18-25(24)31-29(32-28)30-19-21-9-11-23(35-2)12-10-21/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,30,31,32)
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| InChIKey |
POXMGPAYFLGYAS-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