General Information of the Compound
| Compound ID |
CP0410274
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| Compound Name |
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-({2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C25H26F3N9O2
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| Molecular Weight |
541.538
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| Canonical SMILES |
OCCN1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
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| InChI |
InChI=1S/C25H26F3N9O2/c26-25(27,28)20-5-1-3-18(31-20)23-33-24(19-4-2-8-37(19)34-23)30-17-6-7-29-21(15-17)32-22(39)16-36-11-9-35(10-12-36)13-14-38/h1-8,15,38H,9-14,16H2,(H2,29,30,32,33,34,39)
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| InChIKey |
ADPMQZBIFBQBIR-UHFFFAOYSA-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