General Information of the Compound
| Compound ID |
CP0178165
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| Compound Name |
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-1H-pyrrol-2-yl]thieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C27H25ClFN5O3S2
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| Molecular Weight |
586.114
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| Canonical SMILES |
CS(=O)(=O)CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
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| InChI |
InChI=1S/C27H25ClFN5O3S2/c1-39(35,36)10-9-30-14-20-5-7-22(33-20)25-13-23-26(38-25)27(32-16-31-23)34-19-6-8-24(21(28)12-19)37-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30,33H,9-10,14-15H2,1H3,(H,31,32,34)
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| InChIKey |
ZOGNMJNQBLFBPT-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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Table of Molecular Bioactivities Related to the Compound