General Information of the Compound
| Compound ID |
CP0498870
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| Compound Name |
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-4-ylethoxy)quinazoline
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCc1ccncc1
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| InChI |
InChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-11-20-9-12-28-13-10-20)27(30-19-29-24)31-14-5-8-22(18-31)21-6-3-2-4-7-21/h2-4,6-7,9-10,12-13,16-17,19,22H,5,8,11,14-15,18H2,1H3
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| InChIKey |
HGHZWVNQYHVSEI-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