General Information of the Compound
| Compound ID |
CP0962124
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| Compound Name |
2-(4-(4-cyclopropylpiperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C17H19N7O2
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| Molecular Weight |
353.386
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| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nn1)N1CCC(C2CC2)CC1
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| InChI |
InChI=1S/C17H19N7O2/c25-15-14-2-1-7-23(14)20-17(18-15)24-10-13(19-21-24)16(26)22-8-5-12(6-9-22)11-3-4-11/h1-2,7,10-12H,3-6,8-9H2,(H,18,20,25)
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| InChIKey |
UFBSEMMASNXRTG-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