General Information of the Compound
| Compound ID |
CP0245707
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| Compound Name |
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H16ClFN4OS
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| Molecular Weight |
450.926
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| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1
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| InChI |
InChI=1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-22)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29)
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| InChIKey |
WVBOSBMDZYIKPK-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