General Information of the Compound
| Compound ID |
CP0520419
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| Compound Name |
sodium;3-[1-[(4-chlorophenyl)methyl]-5-(3-fluoro-4-phenylphenyl)-3-methylindol-2-yl]-2,2-dimethylpropanoate
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| Structure |
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| Formula |
C33H28ClFNNaO2
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| Molecular Weight |
548.033
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| Canonical SMILES |
[Na+].Cc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
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| InChI |
InChI=1S/C33H29ClFNO2.Na/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38;/h4-18H,19-20H2,1-3H3,(H,37,38);/q;+1/p-1
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| InChIKey |
DNTIXCNZDAEPPU-UHFFFAOYSA-M
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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