General Information of the Compound
| Compound ID |
CP0704307
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| Compound Name |
(R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-2-methyl-N-((6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C28H35F3N4O5S
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| Molecular Weight |
596.672
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| Canonical SMILES |
CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OCC(F)(F)F)cc(C)[nH]c3=O)c3ccccc32)CC1
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| InChI |
InChI=1S/C28H35F3N4O5S/c1-5-41(38,39)34-12-10-20(11-13-34)18(3)35-19(4)25(21-8-6-7-9-23(21)35)27(37)32-15-22-24(40-16-28(29,30)31)14-17(2)33-26(22)36/h6-9,14,18,20H,5,10-13,15-16H2,1-4H3,(H,32,37)(H,33,36)/t18-/m1/s1
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| InChIKey |
AMBMOTZDUXPNCE-GOSISDBHSA-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