General Information of the Compound
| Compound ID |
CP0852738
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| Compound Name |
(R)-1,1-Dimethylethyl 4-({1-[4-(Methylsulfinyl)phenyl]-2,3-dihydro-1H-indol-4-yl}oxy)-1-piperidinecarboxylate
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| Structure |
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| Formula |
C22H27FN4O4S
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| Molecular Weight |
462.547
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc([S@@+](C)[O-])c(F)c2)CC1
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| InChI |
InChI=1S/C22H27FN4O4S/c1-14(2)30-22(28)26-9-6-16(7-10-26)31-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(32(3)29)18(23)12-15/h4-5,12-14,16H,6-11H2,1-3H3/t32-/m1/s1
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| InChIKey |
NLNQDGOWAKZUFC-JGCGQSQUSA-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