General Information of the Compound
| Compound ID |
CP0162668
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| Compound Name |
(2S)-1-{(2S)-3-(1-allyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylcarboxamido]propropanoyl}azolane-2-carboxamide
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| Structure |
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| Formula |
C20H28N6O4
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| Molecular Weight |
416.482
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(CC=C)cn1)NC(=O)[C@@H]1CCCC(=O)N1
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| InChI |
InChI=1S/C20H28N6O4/c1-2-8-25-11-13(22-12-25)10-15(20(30)26-9-4-6-16(26)18(21)28)24-19(29)14-5-3-7-17(27)23-14/h2,11-12,14-16H,1,3-10H2,(H2,21,28)(H,23,27)(H,24,29)/t14-,15-,16-/m0/s1
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| InChIKey |
UMZNTAWXTITBIR-JYJNAYRXSA-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