General Information of the Compound
| Compound ID |
CP0162459
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| Compound Name |
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-cyclohexyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
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| Structure |
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| Formula |
C23H34N6O4
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| Molecular Weight |
458.563
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCCC(=O)N1
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| InChI |
InChI=1S/C23H34N6O4/c24-20(31)18-9-5-11-29(18)23(33)17(28-22(32)16-8-4-10-19(30)27-16)12-15-13-25-21(26-15)14-6-2-1-3-7-14/h13-14,16-18H,1-12H2,(H2,24,31)(H,25,26)(H,27,30)(H,28,32)/t16-,17-,18-/m0/s1
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| InChIKey |
QMIJXNVCZSVRKE-BZSNNMDCSA-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