General Information of the Compound
| Compound ID |
CP0397928
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-4-methylquinazolin-6-yl]but-2-enamide
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| Structure |
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| Formula |
C25H28ClN5O3S
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| Molecular Weight |
514.051
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| Canonical SMILES |
C\C(=C/C(=O)Nc1ccc2nc(nc(C)c2c1)N1CCC(CC1)NS(C)(=O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H28ClN5O3S/c1-16(18-4-6-19(26)7-5-18)14-24(32)28-21-8-9-23-22(15-21)17(2)27-25(29-23)31-12-10-20(11-13-31)30-35(3,33)34/h4-9,14-15,20,30H,10-13H2,1-3H3,(H,28,32)/b16-14+
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| InChIKey |
JEDWKYAQYBVVLM-JQIJEIRASA-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