General Information of the Compound
| Compound ID |
CP0402909
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-(5-chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)-propan-1-one
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| Structure |
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| Formula |
C29H30ClN3O2
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| Molecular Weight |
488.031
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc12)-c1cccnc1
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| InChI |
InChI=1S/C29H30ClN3O2/c1-32-26-11-9-23(30)18-25(26)24(28(32)22-8-5-15-31-20-22)10-12-27(34)33-16-13-29(35,14-17-33)19-21-6-3-2-4-7-21/h2-9,11,15,18,20,35H,10,12-14,16-17,19H2,1H3
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| InChIKey |
FBKJGIFXXNABPC-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