General Information of the Compound
| Compound ID |
CP0720795
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| Compound Name |
2-(4-(4-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)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 |
C21H19N9O4S2
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| Molecular Weight |
525.576
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H19N9O4S2/c1-13-14(12-22-30(13)21-23-19(31)16-5-3-7-29(16)24-21)20(32)27-8-10-28(11-9-27)36(33,34)17-6-2-4-15-18(17)26-35-25-15/h2-7,12H,8-11H2,1H3,(H,23,24,31)
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| InChIKey |
QRCIEBUVJRXUJF-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