General Information of the Compound
| Compound ID |
CP0395077
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| Compound Name |
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
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| InChI |
InChI=1S/C25H28N4O/c26-17-19-4-6-24-23(15-19)21(18-27-24)3-1-2-9-28-10-12-29(13-11-28)22-5-7-25-20(16-22)8-14-30-25/h4-7,15-16,18,27H,1-3,8-14H2
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| InChIKey |
QIXJCHBQCPESEZ-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