General Information of the Compound
| Compound ID |
CP0435547
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| Compound Name |
3-{4-[4-(3-Cyano-4-hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C24H25N5O/c25-15-18-4-6-23-22(13-18)19(17-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24(30)20(14-21)16-26/h4-7,13-14,17,27,30H,1-3,8-12H2
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| InChIKey |
VUPDCEKJOFIAMS-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