General Information of the Compound
| Compound ID |
CP0551287
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| Compound Name |
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]quinazolin-4-one
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| Structure |
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| Formula |
C27H26ClN3O3
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| Molecular Weight |
475.976
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2ccc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H26ClN3O3/c1-33-26-17-22(9-11-25(26)34-15-14-30-12-2-3-13-30)31-18-29-24-10-6-20(16-23(24)27(31)32)19-4-7-21(28)8-5-19/h4-11,16-18H,2-3,12-15H2,1H3
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| InChIKey |
QADPAXYXCJJBLF-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