General Information of the Compound
| Compound ID |
CP0524638
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| Compound Name |
3-[5-Acetyl-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-benzyl-4-hydroxy-piperidin-1-yl)-propan-1-one
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| Structure |
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| Formula |
C32H33ClN2O3
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| Molecular Weight |
529.08
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| Canonical SMILES |
CC(=O)c1ccc2n(C)c(c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c2c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H33ClN2O3/c1-22(36)25-10-14-29-28(20-25)27(31(34(29)2)24-8-11-26(33)12-9-24)13-15-30(37)35-18-16-32(38,17-19-35)21-23-6-4-3-5-7-23/h3-12,14,20,38H,13,15-19,21H2,1-2H3
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| InChIKey |
SYRAXCBZMYANMU-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