General Information of the Compound
| Compound ID |
CP0849309
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| Compound Name |
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
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| Synonyms |
(S)-3-(2',2'-Dimethyl-propionyl)amino-caprolactam
CHEMBL512607
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| Structure |
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| Formula |
C11H20N2O2
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| Molecular Weight |
212.293
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| Canonical SMILES |
CC(C)(C)C(=O)N[C@H]1CCCCNC1=O
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| InChI |
InChI=1S/C11H20N2O2/c1-11(2,3)10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)/t8-/m0/s1
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| InChIKey |
FAFRIRJGUOTURZ-QMMMGPOBSA-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
Clinical Information about the Compound