General Information of the Compound
| Compound ID |
CP0495101
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| Compound Name |
3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3
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| InChIKey |
NRNXACCQRCIESQ-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