General Information of the Compound
| Compound ID |
CP0076580
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| Compound Name |
(3R)-3-methyl-4-[6-(1-methylsulfonylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C20H23N5O3S
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| Molecular Weight |
413.503
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H23N5O3S/c1-13-12-28-10-9-25(13)17-11-16(20(5-6-20)29(2,26)27)23-19(24-17)15-4-8-22-18-14(15)3-7-21-18/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22)/t13-/m1/s1
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| InChIKey |
RLFFPVHCGCAACH-CYBMUJFWSA-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