General Information of the Compound
| Compound ID |
CP0190647
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| Compound Name |
3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzylpropan-1-amine
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| Structure |
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| Formula |
C28H32N4O2S
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| Molecular Weight |
488.657
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNCc2ccccc2)CC1
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| InChI |
InChI=1S/C28H32N4O2S/c33-35(34,25-11-5-2-6-12-25)32-18-15-26-27(13-7-14-28(26)32)31-21-19-30(20-22-31)17-8-16-29-23-24-9-3-1-4-10-24/h1-7,9-15,18,29H,8,16-17,19-23H2
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| InChIKey |
RJFZRWZZAMXOMY-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