General Information of the Compound
| Compound ID |
CP0451053
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| Compound Name |
6-methoxy-N-[(4-methoxyphenyl)methyl]-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine
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| Structure |
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| Formula |
C28H31N5O3
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| Molecular Weight |
485.588
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| Canonical SMILES |
COc1ccc(CNc2nc(N3CCNCC3)c3cc(OC)c(OCc4ccccc4)cc3n2)cc1
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| InChI |
InChI=1S/C28H31N5O3/c1-34-22-10-8-20(9-11-22)18-30-28-31-24-17-26(36-19-21-6-4-3-5-7-21)25(35-2)16-23(24)27(32-28)33-14-12-29-13-15-33/h3-11,16-17,29H,12-15,18-19H2,1-2H3,(H,30,31,32)
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| InChIKey |
ARJRPJCLLCYOIQ-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