General Information of the Compound
| Compound ID |
CP0491995
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| Compound Name |
4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-phthalonitrile
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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)c3ccc(C#N)c(c3)C#N)c2c1
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| InChI |
InChI=1S/C25H24N6/c26-15-19-4-7-25-24(13-19)21(18-29-25)3-1-2-8-30-9-11-31(12-10-30)23-6-5-20(16-27)22(14-23)17-28/h4-7,13-14,18,29H,1-3,8-12H2
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| InChIKey |
VYTXYADVWWRQGH-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