General Information of the Compound
| Compound ID |
CP0461115
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| Compound Name |
N-benzyl-2-[2-(4-methylpiperazin-1-yl)-3-phenyl-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C28H31N5O
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| Molecular Weight |
453.59
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1
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| InChI |
InChI=1S/C28H31N5O/c1-31-16-18-32(19-17-31)28-30-25-15-9-8-14-24(25)26(33(28)23-12-6-3-7-13-23)20-27(34)29-21-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3,(H,29,34)
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| InChIKey |
MVQDDDPVGORFBZ-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