General Information of the Compound
| Compound ID |
CP0161241
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| Compound Name |
2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxymethyl)-1-((S)-3-piperidin-3-yl-propyl)-1H-indol-3-yl]-ethanone
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| Structure |
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| Formula |
C35H47ClN4O2
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| Molecular Weight |
591.24
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| Canonical SMILES |
Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
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| InChI |
InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2/t27-/m0/s1
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| InChIKey |
XHHLNSWTGQCLAS-MHZLTWQESA-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