General Information of the Compound
| Compound ID |
CP0529886
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| Compound Name |
1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
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| Structure |
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| Formula |
C29H27Cl2N3O2
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| Molecular Weight |
520.46
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H27Cl2N3O2/c1-32-26-13-11-23(31)17-25(26)24(29(32)21-7-9-22(30)10-8-21)12-14-27(35)34-16-15-33(28(36)19-34)18-20-5-3-2-4-6-20/h2-11,13,17H,12,14-16,18-19H2,1H3
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| InChIKey |
PHEANDAKVLVTIQ-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