General Information of the Compound
| Compound ID |
CP0574726
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({2- [(4S)-1,3-thiazolidin-4-yl]-1,3-thiazol-4- yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C22H19Cl2N5O2S2
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| Molecular Weight |
520.467
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CSCN1
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| InChI |
InChI=1S/C22H19Cl2N5O2S2/c1-30-19-5-14-17(25-10-26-21(14)28-12-2-3-15(23)16(24)4-12)6-20(19)31-7-13-8-33-22(29-13)18-9-32-11-27-18/h2-6,8,10,18,27H,7,9,11H2,1H3,(H,25,26,28)/t18-/m0/s1
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| InChIKey |
BYRDCUSCDUCHLA-SFHVURJKSA-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