General Information of the Compound
| Compound ID |
CP0439963
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| Compound Name |
tert-butyl 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H21ClF3N5O3
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| Molecular Weight |
459.856
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H21ClF3N5O3/c1-18(2,3)31-17(30)27-8-6-26(7-9-27)16(29)15-11-28(25-24-15)12-4-5-14(20)13(10-12)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3
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| InChIKey |
SXRNBXYOEJSOBP-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