General Information of the Compound
| Compound ID |
CP0504345
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| Compound Name |
5-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H16N2O
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| Molecular Weight |
252.317
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2C(O)CCCc2c1)C#N
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| InChI |
InChI=1S/C16H16N2O/c1-18-13(10-17)6-8-15(18)12-5-7-14-11(9-12)3-2-4-16(14)19/h5-9,16,19H,2-4H2,1H3
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| InChIKey |
BHVYWFHYQDHAJZ-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