General Information of the Compound
| Compound ID |
CP0903571
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| Compound Name |
N-[(4-ethylsulfanyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)-4-piperidyl]ethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C28H35F3N4O2S
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| Molecular Weight |
548.675
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| Canonical SMILES |
CCSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12
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| InChI |
InChI=1S/C28H35F3N4O2S/c1-5-38-24-14-17(2)33-26(36)22(24)15-32-27(37)25-19(4)35(23-9-7-6-8-21(23)25)18(3)20-10-12-34(13-11-20)16-28(29,30)31/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 |
FTLYKJFALRYIJX-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