General Information of the Compound
| Compound ID |
CP0371943
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| Compound Name |
2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-ylmethyl)phenyl)quinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C31H33ClN4O2
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| Molecular Weight |
529.084
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCCCC2)c1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H33ClN4O2/c1-21(2)33-29(37)20-36-30(25-10-7-11-26(32)17-25)34-28-13-12-24(18-27(28)31(36)38)23-9-6-8-22(16-23)19-35-14-4-3-5-15-35/h6-13,16-18,21H,3-5,14-15,19-20H2,1-2H3,(H,33,37)
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| InChIKey |
UXLNAPIVZYVPGF-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