General Information of the Compound
| Compound ID |
CP0954733
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| Compound Name |
2-(4-(4-(benzylsulfonyl)piperazine-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 |
C22H23N7O4S
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| Molecular Weight |
481.538
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H23N7O4S/c1-16-18(14-23-29(16)22-24-20(30)19-8-5-9-28(19)25-22)21(31)26-10-12-27(13-11-26)34(32,33)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,24,25,30)
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| InChIKey |
SHPKBAUZNDQYKM-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