General Information of the Compound
| Compound ID |
CP0947345
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C22H20Cl2N6O3
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| Molecular Weight |
487.347
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc([C@@H]2CCCN2)no1
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| InChI |
InChI=1S/C22H20Cl2N6O3/c1-31-18-8-13-17(26-11-27-21(13)28-12-4-5-14(23)15(24)7-12)9-19(18)32-10-20-29-22(30-33-20)16-3-2-6-25-16/h4-5,7-9,11,16,25H,2-3,6,10H2,1H3,(H,26,27,28)/t16-/m0/s1
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| InChIKey |
HFDJFCJNMFTWOT-INIZCTEOSA-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