General Information of the Compound
| Compound ID |
CP0573079
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| Compound Name |
methyl 2-[6-(3-chlorophenyl)-7-[3-(4-chlorophenyl)propylcarbamoyl]-4-oxoquinazolin-3-yl]acetate
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| Formula |
C27H23Cl2N3O4
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| Molecular Weight |
524.404
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(C(=O)NCCCc3ccc(Cl)cc3)c(cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H23Cl2N3O4/c1-36-25(33)15-32-16-31-24-14-22(26(34)30-11-3-4-17-7-9-19(28)10-8-17)21(13-23(24)27(32)35)18-5-2-6-20(29)12-18/h2,5-10,12-14,16H,3-4,11,15H2,1H3,(H,30,34)
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| InChIKey |
MIZCSFFSMWTUFL-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