General Information of the Compound
| Compound ID |
CP0768921
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| Compound Name |
2-(4-(4-(mesitylsulfonyl)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 |
C24H27N7O4S
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| Molecular Weight |
509.592
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| Canonical SMILES |
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4nn5cccc5c(=O)[nH]4)c3C)CC2)c(C)c1
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| InChI |
InChI=1S/C24H27N7O4S/c1-15-12-16(2)21(17(3)13-15)36(34,35)29-10-8-28(9-11-29)23(33)19-14-25-31(18(19)4)24-26-22(32)20-6-5-7-30(20)27-24/h5-7,12-14H,8-11H2,1-4H3,(H,26,27,32)
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| InChIKey |
NJBAUHJUIUPZKU-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