General Information of the Compound
| Compound ID |
CP0538996
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| Compound Name |
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C37H41FN6O
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| Molecular Weight |
604.774
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccc(F)cc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C37H41FN6O/c1-41(2)20-21-42-22-24-43(25-23-42)37-40-34-11-7-6-10-33(34)35(26-36(45)39-27-28-12-16-31(38)17-13-28)44(37)32-18-14-30(15-19-32)29-8-4-3-5-9-29/h3-19,35H,20-27H2,1-2H3,(H,39,45)
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| InChIKey |
UYJHSEVBDADVIO-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