General Information of the Compound
| Compound ID |
CP0557238
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| Compound Name |
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
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| Structure |
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| Formula |
C23H24FN5O2
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| Molecular Weight |
421.476
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| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCCc12)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C23H24FN5O2/c24-13-8-15-16(10-26-20(15)25-9-13)22-27-17-3-1-2-14(17)21(29-22)28-19-12-6-4-11(5-7-12)18(19)23(30)31/h8-12,18-19H,1-7H2,(H,25,26)(H,30,31)(H,27,28,29)/t11?,12?,18-,19-/m0/s1
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| InChIKey |
FWKIIFXGUSTLGS-UHBICSCXSA-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