General Information of the Compound
| Compound ID |
CP0762918
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| Compound Name |
2-(5-methyl-4-(4-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)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 |
C25H21F3N8O2S
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| Molecular Weight |
554.558
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3nc(-c4cccc(C(F)(F)F)c4)cs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H21F3N8O2S/c1-15-18(13-29-36(15)23-31-21(37)20-6-3-7-35(20)32-23)22(38)33-8-10-34(11-9-33)24-30-19(14-39-24)16-4-2-5-17(12-16)25(26,27)28/h2-7,12-14H,8-11H2,1H3,(H,31,32,37)
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| InChIKey |
ZNIGMPUCWAVRFR-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