General Information of the Compound
| Compound ID |
CP0374516
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| Compound Name |
2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-isophthalonitrile
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| Structure |
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| Formula |
C25H24N6
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| Molecular Weight |
408.509
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
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| InChI |
InChI=1S/C25H24N6/c26-15-19-7-8-24-23(14-19)22(18-29-24)4-1-2-9-30-10-12-31(13-11-30)25-20(16-27)5-3-6-21(25)17-28/h3,5-8,14,18,29H,1-2,4,9-13H2
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| InChIKey |
NGKGVCSPLNBGIR-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