General Information of the Compound
| Compound ID |
CP0450423
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| Compound Name |
1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide
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| Structure |
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| Formula |
C18H22F3N5O2S
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| Molecular Weight |
429.468
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| Canonical SMILES |
CCn1ncc(c1C)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F
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| InChI |
InChI=1S/C18H22F3N5O2S/c1-5-25-15-9-13(18(19,20)21)7-8-14(15)23-17(25)11(3)24-29(27,28)16-10-22-26(6-2)12(16)4/h7-11,24H,5-6H2,1-4H3/t11-/m1/s1
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| InChIKey |
MEZQZIDNLMNGFT-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