General Information of the Compound
| Compound ID |
CP0098927
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| Compound Name |
(4R)-N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1
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| InChI |
InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/m1/s1
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| InChIKey |
ORMYMARBHUUXAQ-KEKZHRQWSA-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