General Information of the Compound
| Compound ID |
CP0477711
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| Compound Name |
2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-methylacetamide
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| Structure |
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| Formula |
C25H29ClN4O3
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| Molecular Weight |
468.985
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| Canonical SMILES |
CNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H29ClN4O3/c1-27-23(31)17-30-24(18-7-5-8-19(26)15-18)28-22-10-9-20(16-21(22)25(30)32)33-14-6-13-29-11-3-2-4-12-29/h5,7-10,15-16H,2-4,6,11-14,17H2,1H3,(H,27,31)
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| InChIKey |
MHTCXZXUAVEKNS-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