General Information of the Compound
| Compound ID |
CP0677622
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| Compound Name |
(R)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-2-methyl-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C27H36N4O4S
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| Molecular Weight |
512.676
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| Canonical SMILES |
CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1
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| InChI |
InChI=1S/C27H36N4O4S/c1-6-36(34,35)30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t19-/m1/s1
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| InChIKey |
IOGHJBSCCRITPR-LJQANCHMSA-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