General Information of the Compound
| Compound ID |
CP0917201
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| Compound Name |
(S)-(E)-3-(2'-Methyldodec-2'-enoyl)amino-caprolactam
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| Structure |
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| Formula |
C19H34N2O2
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| Molecular Weight |
322.493
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| Canonical SMILES |
CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O
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| InChI |
InChI=1S/C19H34N2O2/c1-3-4-5-6-7-8-9-10-13-16(2)18(22)21-17-14-11-12-15-20-19(17)23/h13,17H,3-12,14-15H2,1-2H3,(H,20,23)(H,21,22)/b16-13+/t17-/m0/s1
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| InChIKey |
CZMHFYKCZQFKHU-MAUBAPBLSA-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