General Information of the Compound
| Compound ID |
CP0917226
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| Compound Name |
(S)-3-(2',2',5'-Trimethyl-hexanoyl)amino-caprolactam
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| Structure |
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| Formula |
C15H28N2O2
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| Molecular Weight |
268.401
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| Canonical SMILES |
CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
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| InChI |
InChI=1S/C15H28N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1
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| InChIKey |
JTDHTPHSOYHSQH-LBPRGKRZSA-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