General Information of the Compound
| Compound ID |
CP0554597
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| Compound Name |
1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methyl-pyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
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| Structure |
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| Formula |
C23H26FN5O2S
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| Molecular Weight |
455.559
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| Canonical SMILES |
C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F
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| InChI |
InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1
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| InChIKey |
HIHZKQYDLBEIIU-GDZNZVCISA-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