General Information of the Compound
| Compound ID |
CP0372446
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| Compound Name |
7-(4-chlorophenyl)-3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methoxyphenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C29H30ClN3O2
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| Molecular Weight |
488.031
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| Canonical SMILES |
CCN1CCCC(Cn2c(nc3cc(ccc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2OC)C1
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| InChI |
InChI=1S/C29H30ClN3O2/c1-3-32-16-6-7-20(18-32)19-33-28(25-8-4-5-9-27(25)35-2)31-26-17-22(12-15-24(26)29(33)34)21-10-13-23(30)14-11-21/h4-5,8-15,17,20H,3,6-7,16,18-19H2,1-2H3
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| InChIKey |
MGGNRQPTQAHBTN-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