General Information of the Compound
| Compound ID |
CP0560475
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| Compound Name |
1-methyl-4-[3-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-1,4-diazepan-5-one
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| Structure |
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| Formula |
C20H27N3O2S
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| Molecular Weight |
373.522
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| Canonical SMILES |
CNCC[C@H](Oc1cccc(c1)N1CCN(C)CCC1=O)c1cccs1
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| InChI |
InChI=1S/C20H27N3O2S/c1-21-10-8-18(19-7-4-14-26-19)25-17-6-3-5-16(15-17)23-13-12-22(2)11-9-20(23)24/h3-7,14-15,18,21H,8-13H2,1-2H3/t18-/m0/s1
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| InChIKey |
SOZQYEAKFLBWCU-SFHVURJKSA-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