General Information of the Compound
| Compound ID |
CP0187160
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| Compound Name |
4-bromo-2-ethyl-5-methyl-N-[3,3,3-trifluoro-2-hydroxy-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]propyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H27BrF3N3O2
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| Molecular Weight |
502.375
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| Canonical SMILES |
CCn1nc(C)c(Br)c1C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C22H27BrF3N3O2/c1-4-29-18(17(23)14(2)28-29)19(30)27-13-21(31,22(24,25)26)12-20(3)11-7-9-15-8-5-6-10-16(15)20/h5-6,8,10,31H,4,7,9,11-13H2,1-3H3,(H,27,30)
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| InChIKey |
DPCWMMYFTXHIPG-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