General Information of the Compound
| Compound ID |
CP0386316
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| Compound Name |
N-[[1-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
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| Structure |
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| Formula |
C29H38N4O4S
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| Molecular Weight |
538.714
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| Canonical SMILES |
CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C29H38N4O4S/c1-21(2)20-38(35,36)31-24-10-8-23(9-11-24)19-32-15-12-22(13-16-32)18-30-28(34)27-25-6-3-4-7-26(25)33-14-5-17-37-29(27)33/h3-4,6-11,21-22,31H,5,12-20H2,1-2H3,(H,30,34)
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| InChIKey |
UMEQXTHFPFRJNI-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