General Information of the Compound
| Compound ID |
CP0453366
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-5-furan-2-yl-1-methyl-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C34H33ClN2O3
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| Molecular Weight |
553.102
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccco1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H33ClN2O3/c1-36-30-15-11-26(31-8-5-21-40-31)22-29(30)28(33(36)25-9-12-27(35)13-10-25)14-16-32(38)37-19-17-34(39,18-20-37)23-24-6-3-2-4-7-24/h2-13,15,21-22,39H,14,16-20,23H2,1H3
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| InChIKey |
VPVCVDNSGSGCQY-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