General Information of the Compound
| Compound ID |
CP0957696
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| Compound Name |
2-(4-(4-(4-(2-chlorophenyl)thiazol-2-yl)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 |
C24H21ClN8O2S
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| Molecular Weight |
521.006
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3nc(-c4ccccc4Cl)cs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H21ClN8O2S/c1-15-17(13-26-33(15)23-28-21(34)20-7-4-8-32(20)29-23)22(35)30-9-11-31(12-10-30)24-27-19(14-36-24)16-5-2-3-6-18(16)25/h2-8,13-14H,9-12H2,1H3,(H,28,29,34)
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| InChIKey |
GUXGJMUTKSMMEK-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