General Information of the Compound
| Compound ID |
CP0469337
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| Compound Name |
2-[2-[3-(dimethylcarbamoylamino)propyl-methylamino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
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| Structure |
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| Formula |
C36H40ClFN6O2
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| Molecular Weight |
643.207
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| Canonical SMILES |
Cl.CN(C)C(=O)NCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(F)cc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C36H39FN6O2.ClH/c1-41(2)36(45)38-22-9-23-42(3)35-40-32-13-8-7-12-31(32)33(24-34(44)39-25-26-14-18-29(37)19-15-26)43(35)30-20-16-28(17-21-30)27-10-5-4-6-11-27;/h4-8,10-21,33H,9,22-25H2,1-3H3,(H,38,45)(H,39,44);1H
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| InChIKey |
YQMBOFZCSICRCZ-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