General Information of the Compound
| Compound ID |
CP0560463
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| Compound Name |
1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazol-5-yl)methyl)-5-methylpyrrolidin-3-yl)oxy)-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethan-1-one
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| Structure |
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| Formula |
C23H25FN4O2S
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| Molecular Weight |
440.544
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| Canonical SMILES |
C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ccc2CN(Cc2n1)C(C)=O
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| InChI |
InChI=1S/C23H25FN4O2S/c1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h4-5,7-8,13,18H,6,9-12H2,1-3H3/t13-,18+/m0/s1
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| InChIKey |
ATISQPFZANBMFU-SCLBCKFNSA-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