General Information of the Compound
| Compound ID |
CP0177568
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| Compound Name |
(4R)-6-(3,4-dimethoxyphenyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C18H20N2O3
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| Molecular Weight |
312.369
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12
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| InChI |
InChI=1S/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/m1/s1
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| InChIKey |
TUDUFFGDXQMAHC-LLVKDONJSA-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