General Information of the Compound
| Compound ID |
CP0487167
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| Compound Name |
3-{4-[4-(2-Cyano-3-fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C24H26FN5O
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| Molecular Weight |
419.504
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| Canonical SMILES |
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc(F)c3C#N)c2c1
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| InChI |
InChI=1S/C24H26FN5O/c25-21-5-3-6-23(20(21)15-26)30-12-10-29(11-13-30)9-2-1-4-18-16-28-22-8-7-17(24(27)31)14-19(18)22/h3,5-8,14,16,28H,1-2,4,9-13H2,(H2,27,31)
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| InChIKey |
NCDKJAFICFICEX-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