General Information of the Compound
| Compound ID |
CP0848462
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({2-[(2S)-1-ethylpyrrolidin-2-yl]-1,3-thiazol-4-yl}methyl)oxy]-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H25Cl2N5O2S
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| Molecular Weight |
530.481
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| Canonical SMILES |
CCN1CCC[C@H]1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
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| InChI |
InChI=1S/C25H25Cl2N5O2S/c1-3-32-8-4-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)/t21-/m0/s1
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| InChIKey |
BADQNHXUQWKUBJ-NRFANRHFSA-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