General Information of the Compound
| Compound ID |
CP0409402
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| Compound Name |
5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C23H25ClN8O
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| Molecular Weight |
464.961
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| Canonical SMILES |
NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1
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| InChI |
InChI=1S/C23H25ClN8O/c24-20-11-18(1-2-21(20)33-14-19-12-26-6-7-27-19)30-23-22-16(3-10-32(22)29-15-28-23)13-31-8-4-17(25)5-9-31/h1-3,6-7,10-12,15,17H,4-5,8-9,13-14,25H2,(H,28,29,30)
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| InChIKey |
YNFCRDTVTDENKG-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