General Information of the Compound
| Compound ID |
CP0409533
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| Compound Name |
tert-butyl 4-[5-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)amino]pentyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H36N2O4S
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| Molecular Weight |
436.618
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCCCNc2ccc3c(CCS3(=O)=O)c2)CC1
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| InChI |
InChI=1S/C23H36N2O4S/c1-23(2,3)29-22(26)25-14-10-18(11-15-25)7-5-4-6-13-24-20-8-9-21-19(17-20)12-16-30(21,27)28/h8-9,17-18,24H,4-7,10-16H2,1-3H3
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| InChIKey |
BPNGXXPWVUKDRR-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