General Information of the Compound
| Compound ID |
CP0913631
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| Compound Name |
2-(4-(4-(1H-1,2,4-triazol-1-yl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H19N9O2
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| Molecular Weight |
393.411
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(n3cncn3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19N9O2/c1-12-14(17(29)24-7-4-13(5-8-24)26-11-19-10-21-26)9-20-27(12)18-22-16(28)15-3-2-6-25(15)23-18/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,22,23,28)
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| InChIKey |
DIOXAPSDCCRFQJ-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