General Information of the Compound
| Compound ID |
CP0534368
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| Compound Name |
6-Bromo-1-[2-(4-isopropyl-[1,4]diazepan-1-yl)-ethyl]-1H-indole
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| Structure |
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| Formula |
C18H26BrN3
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| Molecular Weight |
364.331
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| Canonical SMILES |
CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1
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| InChI |
InChI=1S/C18H26BrN3/c1-15(2)21-8-3-7-20(10-12-21)11-13-22-9-6-16-4-5-17(19)14-18(16)22/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3
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| InChIKey |
RUDHYRPOBDFCBW-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