General Information of the Compound
| Compound ID |
CP0394045
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| Compound Name |
N-[(4-aminophenyl)methyl]-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
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| Synonyms |
BDBM50148177
CHEMBL115159
KYS-05040
N-(4-Amino-benzyl)-2-(3-phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-acetamide
SCHEMBL14417350
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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 |
Nc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCCCC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H31N5O/c29-22-15-13-21(14-16-22)20-30-27(34)19-26-24-11-5-6-12-25(24)31-28(32-17-7-2-8-18-32)33(26)23-9-3-1-4-10-23/h1,3-6,9-16,26H,2,7-8,17-20,29H2,(H,30,34)
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| InChIKey |
NEMYASVJMUEWED-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
Clinical Information about the Compound