General Information of the Compound
Compound ID |
CP0429831
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Compound Name |
2-[2-(5-aminopentylimino)-3-phenyl-1,4-dihydroquinazolin-4-yl]-N-benzylacetamide
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Structure |
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Formula |
C28H33N5O
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Molecular Weight |
455.606
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Canonical SMILES |
NCCCCCNC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1
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InChI |
InChI=1S/C28H33N5O/c29-18-10-3-11-19-30-28-32-25-17-9-8-16-24(25)26(33(28)23-14-6-2-7-15-23)20-27(34)31-21-22-12-4-1-5-13-22/h1-2,4-9,12-17,26H,3,10-11,18-21,29H2,(H,30,32)(H,31,34)
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InChIKey |
VWVALUBNUMXGMA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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