General Information of the Compound
| Compound ID |
CP0438563
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| Compound Name |
(5-Chloro-2-(4-chloro-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-3-oxo-propyl}-indol-1-yl)-acetic acid methyl ester
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| Structure |
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| Formula |
C31H31Cl2N3O4
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| Molecular Weight |
580.512
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| Canonical SMILES |
COC(=O)Cn1c(c(CCC(=O)N2CCN(CC2)c2ccccc2OC)c2cc(Cl)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H31Cl2N3O4/c1-39-28-6-4-3-5-27(28)34-15-17-35(18-16-34)29(37)14-12-24-25-19-23(33)11-13-26(25)36(20-30(38)40-2)31(24)21-7-9-22(32)10-8-21/h3-11,13,19H,12,14-18,20H2,1-2H3
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| InChIKey |
GNOYESNOUWJQOE-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