General Information of the Compound
Compound ID |
CP0371940
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Compound Name |
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-cyclopentylacetamide
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Structure |
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Formula |
C31H32N4O2
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Molecular Weight |
492.623
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Canonical SMILES |
O=C(Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCC2)c1)-c1ccccc1)NC1CCCC1
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InChI |
InChI=1S/C31H32N4O2/c36-29(32-26-12-4-5-13-26)21-35-30(23-9-2-1-3-10-23)33-28-15-14-25(19-27(28)31(35)37)24-11-6-8-22(18-24)20-34-16-7-17-34/h1-3,6,8-11,14-15,18-19,26H,4-5,7,12-13,16-17,20-21H2,(H,32,36)
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InChIKey |
HHXIWWPZXCXBOI-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