General Information of the Compound
| Compound ID |
CP0954635
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| Compound Name |
4-Ethyl-3-oxo-N-(1-undecanoylpiperidin-4-yl)-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carboxamide
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| Structure |
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| Formula |
C27H41N3O3S
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| Molecular Weight |
487.71
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| Canonical SMILES |
CCCCCCCCCCC(=O)N1CCC(NC(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C27H41N3O3S/c1-3-5-6-7-8-9-10-11-16-24(31)29-19-17-21(18-20-29)28-26(32)25-27(33)30(4-2)22-14-12-13-15-23(22)34-25/h12-15,21,25H,3-11,16-20H2,1-2H3,(H,28,32)
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| InChIKey |
SUEXBZIHJRLECR-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