General Information of the Compound
| Compound ID |
CP0454912
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| Compound Name |
6-Bromo-1-[2-(4-isobutyl-[1,4]diazepan-1-yl)-ethyl]-1H-indole
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| Structure |
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| Formula |
C19H28BrN3
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| Molecular Weight |
378.358
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| Canonical SMILES |
CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
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| InChI |
InChI=1S/C19H28BrN3/c1-16(2)15-22-8-3-7-21(10-11-22)12-13-23-9-6-17-4-5-18(20)14-19(17)23/h4-6,9,14,16H,3,7-8,10-13,15H2,1-2H3
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| InChIKey |
POBUDYYXFDGRFB-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