General Information of the Compound
| Compound ID |
CP0955625
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| Compound Name |
N-tert-butyl-7-(4-methoxyphenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C16H23N3O
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| Molecular Weight |
273.38
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| Canonical SMILES |
COc1ccc(C2=CC(NC(C)(C)C)=NCCN2)cc1
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| InChI |
InChI=1S/C16H23N3O/c1-16(2,3)19-15-11-14(17-9-10-18-15)12-5-7-13(20-4)8-6-12/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
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| InChIKey |
VQCNZOZVOVKWNU-UHFFFAOYSA-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