General Information of the Compound
| Compound ID |
CP0299338
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| Compound Name |
2-[(3S,4S)-3-(2,4-difluorophenoxy)-4-hydroxypyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
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| Structure |
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| Formula |
C28H26F2N8O3S
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| Molecular Weight |
592.632
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)Oc4ccc(F)cc4F)cc3)nn3cccc23)n[nH]1
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| InChI |
InChI=1S/C28H26F2N8O3S/c1-16-11-25(35-34-16)32-27-21-3-2-10-38(21)36-28(33-27)42-19-7-5-18(6-8-19)31-26(40)15-37-13-22(39)24(14-37)41-23-9-4-17(29)12-20(23)30/h2-12,22,24,39H,13-15H2,1H3,(H,31,40)(H2,32,33,34,35,36)/t22-,24-/m0/s1
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| InChIKey |
NSWYQWBLEMTVKT-UPVQGACJSA-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