General Information of the Compound
| Compound ID |
CP0465719
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| Compound Name |
6-Bromo-1-{2-[4-(2,2-dimethyl-propyl)-[1,4]diazepan-1-yl]-ethyl}-1H-indole
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| Structure |
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| Formula |
C20H30BrN3
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| Molecular Weight |
392.385
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| Canonical SMILES |
CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
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| InChI |
InChI=1S/C20H30BrN3/c1-20(2,3)16-23-9-4-8-22(11-12-23)13-14-24-10-7-17-5-6-18(21)15-19(17)24/h5-7,10,15H,4,8-9,11-14,16H2,1-3H3
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| InChIKey |
RGBARDXJZPJKIT-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