General Information of the Compound
| Compound ID |
CP0555275
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-(5-chloro-1-methyl-2-pyridin-2-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)-c1ccccn1
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| InChI |
InChI=1S/C29H30ClN3O2/c1-32-26-12-10-22(30)19-24(26)23(28(32)25-9-5-6-16-31-25)11-13-27(34)33-17-14-29(35,15-18-33)20-21-7-3-2-4-8-21/h2-10,12,16,19,35H,11,13-15,17-18,20H2,1H3
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| InChIKey |
RSCUIJPMECVKOO-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