General Information of the Compound
| Compound ID |
CP0373186
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| Compound Name |
N-benzyl-2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
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| Synonyms |
BDBM50148175
CHEMBL114695
KYS-05001
N-Benzyl-2-(3-phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-acetamide
SCHEMBL14417320
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| Structure |
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| Formula |
C28H30N4O
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| Molecular Weight |
438.575
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| Canonical SMILES |
O=C(CC1N(C(=Nc2ccccc12)N1CCCCC1)c1ccccc1)NCc1ccccc1
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| InChI |
InChI=1S/C28H30N4O/c33-27(29-21-22-12-4-1-5-13-22)20-26-24-16-8-9-17-25(24)30-28(31-18-10-3-11-19-31)32(26)23-14-6-2-7-15-23/h1-2,4-9,12-17,26H,3,10-11,18-21H2,(H,29,33)
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| InChIKey |
IROXHJVGJHVBSD-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