General Information of the Compound
| Compound ID |
CP0512840
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| Compound Name |
tert-butyl 4-[7-[3-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C25H29FN4O5S
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| Molecular Weight |
516.595
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| Canonical SMILES |
CON(C)C(=O)c1ccc(cc1F)-c1csc2c(OC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12
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| InChI |
InChI=1S/C25H29FN4O5S/c1-25(2,3)35-24(32)30-10-8-16(9-11-30)34-22-21-20(27-14-28-22)18(13-36-21)15-6-7-17(19(26)12-15)23(31)29(4)33-5/h6-7,12-14,16H,8-11H2,1-5H3
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| InChIKey |
CIBLLHNRPZEQCU-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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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