General Information of the Compound
| Compound ID |
CP0471222
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| Compound Name |
5-(1-benzyl-7-fluoro-3,3-dimethyl-2-oxoindol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C23H20FN3O
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| Molecular Weight |
373.431
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| Canonical SMILES |
Cn1c(ccc1-c1cc2c(N(Cc3ccccc3)C(=O)C2(C)C)c(F)c1)C#N
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| InChI |
InChI=1S/C23H20FN3O/c1-23(2)18-11-16(20-10-9-17(13-25)26(20)3)12-19(24)21(18)27(22(23)28)14-15-7-5-4-6-8-15/h4-12H,14H2,1-3H3
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| InChIKey |
FPYZTDDUPXWEQH-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