General Information of the Compound
| Compound ID |
CP0446067
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| Compound Name |
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrido[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 |
C24H23FN6O2
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| Molecular Weight |
446.486
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| Canonical SMILES |
Cc1cnc2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc2c1)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C24H23FN6O2/c1-11-6-17-20(26-8-11)23(30-19-13-4-2-12(3-5-13)18(19)24(32)33)31-22(29-17)16-10-28-21-15(16)7-14(25)9-27-21/h6-10,12-13,18-19H,2-5H2,1H3,(H,27,28)(H,32,33)(H,29,30,31)/t12?,13?,18-,19-/m0/s1
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| InChIKey |
BESBQOIHSSWQPR-IBYVOGSZSA-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