General Information of the Compound
| Compound ID |
CP0555055
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| Compound Name |
3-methoxy-1-(2-methoxyethyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C18H20F3N7O3
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| Molecular Weight |
439.398
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| Canonical SMILES |
COCCn1cc(C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)C(F)(F)F)c(OC)n1
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| InChI |
InChI=1S/C18H20F3N7O3/c1-11(18(19,20)21)28-10-22-25-15(28)13-5-4-6-14(23-13)24-16(29)12-9-27(7-8-30-2)26-17(12)31-3/h4-6,9-11H,7-8H2,1-3H3,(H,23,24,29)/t11-/m0/s1
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| InChIKey |
MKFPXXSISGYYFB-NSHDSACASA-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