General Information of the Compound
| Compound ID |
CP0398402
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| Compound Name |
1-(4-bromophenyl)-4-methyl-1,4-diazepane-1-carboxylate
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| Structure |
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| Formula |
C13H17BrN2O2
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| Molecular Weight |
313.195
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| Canonical SMILES |
CN1CCCN(CC1)C(=O)Oc1ccc(Br)cc1
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| InChI |
InChI=1S/C13H17BrN2O2/c1-15-7-2-8-16(10-9-15)13(17)18-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
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| InChIKey |
DOTIKDYEWUQJPV-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