General Information of the Compound
| Compound ID |
CP0921301
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| Compound Name |
4-[(2R)-4-tert-Butylpiperazine-2-carbonyl]-N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C18H26ClF3N6O2S
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| Molecular Weight |
482.96
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| Canonical SMILES |
CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1
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| InChI |
InChI=1S/C18H26ClF3N6O2S/c1-17(2,3)28-5-4-23-11(10-28)14(29)26-6-8-27(9-7-26)16(30)25-15-24-12(13(19)31-15)18(20,21)22/h11,23H,4-10H2,1-3H3,(H,24,25,30)/t11-/m1/s1
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| InChIKey |
BVIJCXFDGHSEMW-LLVKDONJSA-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