General Information of the Compound
| Compound ID |
CP0465697
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| Compound Name |
2-[2-(5-Bromo-indol-1-yl)-ethyl]-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C18H24BrN3
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| Molecular Weight |
362.315
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| Canonical SMILES |
Brc1ccc2n(CCN3CCN4CCCCC4C3)ccc2c1
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| InChI |
InChI=1S/C18H24BrN3/c19-16-4-5-18-15(13-16)6-8-22(18)12-10-20-9-11-21-7-2-1-3-17(21)14-20/h4-6,8,13,17H,1-3,7,9-12,14H2
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| InChIKey |
KHCPBCHTUYSMTM-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