General Information of the Compound
| Compound ID |
CP0439762
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(1-ethylpiperidin-3-yl)ethyl]-2-(2-methoxyphenyl)quinazolin-4(3H)-one trifluoroacetate
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| Structure |
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| Formula |
C30H32ClN3O2
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| Molecular Weight |
502.058
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| Canonical SMILES |
CCN1CCCC(CCn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2OC)C1
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| InChI |
InChI=1S/C30H32ClN3O2/c1-3-33-17-6-7-21(20-33)16-18-34-29(25-8-4-5-9-28(25)36-2)32-27-15-12-23(19-26(27)30(34)35)22-10-13-24(31)14-11-22/h4-5,8-15,19,21H,3,6-7,16-18,20H2,1-2H3
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| InChIKey |
XLXKUHJSJAEFMA-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