General Information of the Compound
| Compound ID |
CP0576809
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| Compound Name |
1-methyl-5-N-(3,4,5-trifluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-3,5-dicarboxamide
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| Structure |
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| Formula |
C17H15F6N5O2
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| Molecular Weight |
435.328
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(C)c2CN(Cc12)C(=O)Nc1cc(F)c(F)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F6N5O2/c1-7(17(21,22)23)24-15(29)14-9-5-28(6-12(9)27(2)26-14)16(30)25-8-3-10(18)13(20)11(19)4-8/h3-4,7H,5-6H2,1-2H3,(H,24,29)(H,25,30)/t7-/m1/s1
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| InChIKey |
XGMDXYZGXYAPHU-SSDOTTSWSA-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