General Information of the Compound
| Compound ID |
CP0495901
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| Compound Name |
6-Bromo-1-[2-(4-cyclohexyl-[1,4]diazepan-1-yl)-ethyl]-1H-indole
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| Structure |
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| Formula |
C21H30BrN3
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| Molecular Weight |
404.396
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| Canonical SMILES |
Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1
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| InChI |
InChI=1S/C21H30BrN3/c22-19-8-7-18-9-12-25(21(18)17-19)16-14-23-10-4-11-24(15-13-23)20-5-2-1-3-6-20/h7-9,12,17,20H,1-6,10-11,13-16H2
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| InChIKey |
DSIXUIAMAPUWHC-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