General Information of the Compound
| Compound ID |
CP0902945
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| Compound Name |
2-(5-methyl-4-(4-((tetrahydrofuran-2-yl)methyl)piperazine-1-carbonyl)-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 |
C20H25N7O3
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| Molecular Weight |
411.466
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC3CCCO3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H25N7O3/c1-14-16(12-21-27(14)20-22-18(28)17-5-2-6-26(17)23-20)19(29)25-9-7-24(8-10-25)13-15-4-3-11-30-15/h2,5-6,12,15H,3-4,7-11,13H2,1H3,(H,22,23,28)
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| InChIKey |
XKVLCIPQQXSTPF-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