General Information of the Compound
| Compound ID |
CP0196973
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| Compound Name |
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
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| Structure |
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| Formula |
C38H44N6O2
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| Molecular Weight |
616.81
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| Canonical SMILES |
COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCN(CCN(C)C)CC2)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C38H44N6O2/c1-41(2)21-22-42-23-25-43(26-24-42)38-40-35-12-8-7-11-34(35)36(27-37(45)39-28-29-13-19-33(46-3)20-14-29)44(38)32-17-15-31(16-18-32)30-9-5-4-6-10-30/h4-20,36H,21-28H2,1-3H3,(H,39,45)
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| InChIKey |
NVUOOHYUOQYRFG-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