General Information of the Compound
| Compound ID |
CP0458023
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| Compound Name |
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
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| Structure |
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| Formula |
C23H21FN6O2
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| Molecular Weight |
432.459
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| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccnc12)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C23H21FN6O2/c24-13-8-14-15(10-27-20(14)26-9-13)21-28-16-2-1-7-25-19(16)22(30-21)29-18-12-5-3-11(4-6-12)17(18)23(31)32/h1-2,7-12,17-18H,3-6H2,(H,26,27)(H,31,32)(H,28,29,30)/t11?,12?,17-,18-/m0/s1
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| InChIKey |
SHRDEFRLGALLPR-DFYNNNJYSA-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