General Information of the Compound
| Compound ID |
CP0374508
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| Compound Name |
3-{4-[4-(2-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C#N)c2c1
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| InChI |
InChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30)
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| InChIKey |
HJQVFWPFCDCXRG-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