General Information of the Compound
| Compound ID |
CP0420104
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| Compound Name |
N-[4-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(NC(C)=O)cc3)c2c1
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| InChI |
InChI=1S/C25H32N4O2/c1-19(30)27-21-6-8-22(9-7-21)29-15-13-28(14-16-29)12-4-3-5-20-18-26-25-11-10-23(31-2)17-24(20)25/h6-11,17-18,26H,3-5,12-16H2,1-2H3,(H,27,30)
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| InChIKey |
BXMULCSTOJNWHO-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