General Information of the Compound
| Compound ID |
CP0689663
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| Compound Name |
5-(((3R,4R)-3-aminotetrahydro-2H-pyran-4-yl)amino)-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H22N6O3
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| Molecular Weight |
382.424
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| Canonical SMILES |
COc1cccc2[nH]c(-c3nc(N[C@@H]4CCOC[C@@H]4N)cnc3C(N)=O)cc12
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| InChI |
InChI=1S/C19H22N6O3/c1-27-15-4-2-3-12-10(15)7-14(23-12)17-18(19(21)26)22-8-16(25-17)24-13-5-6-28-9-11(13)20/h2-4,7-8,11,13,23H,5-6,9,20H2,1H3,(H2,21,26)(H,24,25)/t11-,13+/m0/s1
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| InChIKey |
HVQAATXUCFUOMV-WCQYABFASA-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