General Information of the Compound
| Compound ID |
CP0433018
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| Compound Name |
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
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| Structure |
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| Formula |
C38H44N6O
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| Molecular Weight |
600.811
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccc(C)cc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C38H44N6O/c1-29-13-15-30(16-14-29)28-39-37(45)27-36-34-11-7-8-12-35(34)40-38(43-25-23-42(24-26-43)22-21-41(2)3)44(36)33-19-17-32(18-20-33)31-9-5-4-6-10-31/h4-20,36H,21-28H2,1-3H3,(H,39,45)
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| InChIKey |
ZJBLZPIKNPZNLZ-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