General Information of the Compound
| Compound ID |
CP0507200
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| Compound Name |
1-(4-methylpiperazin-1-yl)-2-(1-octyl-5-m-tolyl-1H-indol-3-yl)ethanone
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| Structure |
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| Formula |
C30H41N3O
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| Molecular Weight |
459.678
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| Canonical SMILES |
CCCCCCCCn1cc(CC(=O)N2CCN(C)CC2)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C30H41N3O/c1-4-5-6-7-8-9-15-33-23-27(22-30(34)32-18-16-31(3)17-19-32)28-21-26(13-14-29(28)33)25-12-10-11-24(2)20-25/h10-14,20-21,23H,4-9,15-19,22H2,1-3H3
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| InChIKey |
ICSNDHRNOPMWAM-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