General Information of the Compound
| Compound ID |
CP0572010
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({3- [(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol- 5-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C23H22Cl2N6O3
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| Molecular Weight |
501.374
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)[C@@H]1CCCN1C
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| InChI |
InChI=1S/C23H22Cl2N6O3/c1-31-7-3-4-18(31)23-29-21(34-30-23)11-33-20-10-17-14(9-19(20)32-2)22(27-12-26-17)28-13-5-6-15(24)16(25)8-13/h5-6,8-10,12,18H,3-4,7,11H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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| InChIKey |
QFHBQKXGJZQISJ-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