General Information of the Compound
| Compound ID |
CP0523120
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| Compound Name |
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
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| Structure |
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| Formula |
C26H30BrFN4
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| Molecular Weight |
497.456
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
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| InChI |
InChI=1S/C26H30BrFN4/c27-21-5-7-25-23(15-21)19(17-29-25)3-1-9-31-11-13-32(14-12-31)10-2-4-20-18-30-26-8-6-22(28)16-24(20)26/h5-8,15-18,29-30H,1-4,9-14H2
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| InChIKey |
OALHAGWUIVDIFB-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