General Information of the Compound
| Compound ID |
CP0940055
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| Compound Name |
N-tert-butyl-7-(2-fluoro-4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
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| Structure |
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| Formula |
C16H22FN3
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| Molecular Weight |
275.371
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| Canonical SMILES |
Cc1ccc(C2=CC(NC(C)(C)C)=NCCN2)c(F)c1
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| InChI |
InChI=1S/C16H22FN3/c1-11-5-6-12(13(17)9-11)14-10-15(19-8-7-18-14)20-16(2,3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,20)
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| InChIKey |
MSMNVOOHUXHQTH-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