General Information of the Compound
| Compound ID |
CP0502991
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| Compound Name |
[3-[[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
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| Structure |
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| Formula |
C29H21ClN2O2S2
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| Molecular Weight |
529.086
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3csc4ccccc34)c2c1
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| InChI |
InChI=1S/C29H21ClN2O2S2/c1-17-22(14-28-31-25(16-36-28)24-15-35-27-6-4-3-5-21(24)27)23-13-20(34-2)11-12-26(23)32(17)29(33)18-7-9-19(30)10-8-18/h3-13,15-16H,14H2,1-2H3
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| InChIKey |
PTAMYKPZICAZTG-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