General Information of the Compound
| Compound ID |
CP0563552
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| Compound Name |
(2S,3S)-3-[5-cyano-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]bicyclo[2.2.2]octane-2-carboxylic acid
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| Structure |
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| Formula |
C23H19FN6O2
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| Molecular Weight |
430.443
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| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1n1cc(C#N)c2cnc(nc12)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C23H19FN6O2/c24-14-5-15-17(9-27-20(15)26-7-14)21-28-8-16-13(6-25)10-30(22(16)29-21)19-12-3-1-11(2-4-12)18(19)23(31)32/h5,7-12,18-19H,1-4H2,(H,26,27)(H,31,32)/t11?,12?,18-,19-/m0/s1
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| InChIKey |
IEMDOPPDKYNLJS-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