General Information of the Compound
| Compound ID |
CP0451727
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| Compound Name |
N-[[4-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]phenyl]methyl]-N-methylprop-2-yn-1-amine
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| Formula |
C33H38N4O3S
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| Molecular Weight |
570.759
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| Canonical SMILES |
CN(CC#C)Cc1ccc(OCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C33H38N4O3S/c1-3-19-34(2)27-28-14-16-29(17-15-28)40-26-8-7-20-35-22-24-36(25-23-35)32-12-9-13-33-31(32)18-21-37(33)41(38,39)30-10-5-4-6-11-30/h1,4-6,9-18,21H,7-8,19-20,22-27H2,2H3
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| InChIKey |
UGLRAHNKSOSORS-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