General Information of the Compound
| Compound ID |
CP0445084
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| Compound Name |
(4R)-4-methyl-N-[(1R)-1-(1,3-oxazol-5-yl)propyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
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| Structure |
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| Formula |
C17H20N4O3
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| Molecular Weight |
328.372
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| Canonical SMILES |
CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1
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| InChI |
InChI=1S/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/m1/s1
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| InChIKey |
ALHJMMFOEMZRDZ-ZYHUDNBSSA-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