General Information of the Compound
| Compound ID |
CP0515550
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[5-(1- ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-3- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C24H24Cl2N6O3
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| Molecular Weight |
515.401
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| Canonical SMILES |
CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
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| InChI |
InChI=1S/C24H24Cl2N6O3/c1-3-32-8-4-5-19(32)24-30-22(31-35-24)12-34-21-11-18-15(10-20(21)33-2)23(28-13-27-18)29-14-6-7-16(25)17(26)9-14/h6-7,9-11,13,19H,3-5,8,12H2,1-2H3,(H,27,28,29)
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| InChIKey |
OUPSOAXLJSDWRF-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