General Information of the Compound
| Compound ID |
CP0917199
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| Compound Name |
(S)-3-(2',2'-Dimethyl-pentanoyl)amino-caprolactam
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| Structure |
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| Formula |
C13H24N2O2
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| Molecular Weight |
240.347
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| Canonical SMILES |
CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
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| InChI |
InChI=1S/C13H24N2O2/c1-4-8-13(2,3)12(17)15-10-7-5-6-9-14-11(10)16/h10H,4-9H2,1-3H3,(H,14,16)(H,15,17)/t10-/m0/s1
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| InChIKey |
BSKBSIQSUHKBFE-JTQLQIEISA-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