General Information of the Compound
| Compound ID |
CP0500000
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| Compound Name |
2-(1-octyl-5-m-tolyl-1H-indol-3-yl)-1-(pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C29H38N2O
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| Molecular Weight |
430.636
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| Canonical SMILES |
CCCCCCCCn1cc(CC(=O)N2CCCC2)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C29H38N2O/c1-3-4-5-6-7-8-18-31-22-26(21-29(32)30-16-9-10-17-30)27-20-25(14-15-28(27)31)24-13-11-12-23(2)19-24/h11-15,19-20,22H,3-10,16-18,21H2,1-2H3
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| InChIKey |
VAGOXPOVHTYJHF-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