General Information of the Compound
| Compound ID |
CP0114017
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| Compound Name |
(3S,4S)-4-amino-1-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-3-ol
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| Structure |
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| Formula |
C22H23FN8O
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| Molecular Weight |
434.479
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| Canonical SMILES |
N[C@H]1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)C[C@@H]1O
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| InChI |
InChI=1S/C22H23FN8O/c23-15-11-25-8-4-17(15)27-22-20-14(12-30-9-6-16(24)19(32)13-30)5-10-31(20)29-21(28-22)18-3-1-2-7-26-18/h1-5,7-8,10-11,16,19,32H,6,9,12-13,24H2,(H,25,27,28,29)/t16-,19-/m0/s1
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| InChIKey |
HUEXJRRSSHIGFJ-LPHOPBHVSA-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