General Information of the Compound
| Compound ID |
CP0867126
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| Compound Name |
(Z)-isopropyl 3-(3-(3-(2-(pyrrolidin-1-yl)ethoxy)-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C21H25F3N4O3
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| Molecular Weight |
438.45
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| Canonical SMILES |
CC(C)OC(=O)/C=C\n1cnc(-c2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)n1
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| InChI |
InChI=1S/C21H25F3N4O3/c1-15(2)31-19(29)5-8-28-14-25-20(26-28)16-11-17(21(22,23)24)13-18(12-16)30-10-9-27-6-3-4-7-27/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3/b8-5-
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| InChIKey |
SYKGZNSAXPOGIB-YVMONPNESA-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