General Information of the Compound
| Compound ID |
CP0942620
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| Compound Name |
7-({[4-(butylsulfonyl)morpholin-2-yl]methyl}oxy)-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H28Cl2N4O5S
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| Molecular Weight |
555.484
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| Canonical SMILES |
CCCCS(=O)(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C24H28Cl2N4O5S/c1-3-4-9-36(31,32)30-7-8-34-17(13-30)14-35-23-12-21-18(11-22(23)33-2)24(28-15-27-21)29-16-5-6-19(25)20(26)10-16/h5-6,10-12,15,17H,3-4,7-9,13-14H2,1-2H3,(H,27,28,29)
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| InChIKey |
CKIBKYNCWLLXRU-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