General Information of the Compound
| Compound ID |
CP0404867
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| Compound Name |
5-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H15N3O
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| Molecular Weight |
265.316
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1)C#N
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| InChI |
InChI=1S/C16H15N3O/c1-16(2)12-8-10(4-6-13(12)18-15(16)20)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,20)
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| InChIKey |
RBHHFEVQQLPYEF-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