General Information of the Compound
| Compound ID |
CP0914162
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| Compound Name |
5-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C15H13N3O
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| Molecular Weight |
251.289
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| Canonical SMILES |
Cn1c(C#N)ccc1-c1ccc2c(c1)CC/C2=N/O
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| InChI |
InChI=1S/C15H13N3O/c1-18-12(9-16)4-7-15(18)11-2-5-13-10(8-11)3-6-14(13)17-19/h2,4-5,7-8,19H,3,6H2,1H3/b17-14-
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| InChIKey |
QRUVBVHUNJLCPF-VKAVYKQESA-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