General Information of the Compound
| Compound ID |
CP0906724
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| Compound Name |
5-[1-(3H-Imidazol-4-yl)-meth-(Z)-ylidene]-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile
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| Structure |
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| Formula |
C15H13N3
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| Molecular Weight |
235.29
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| Canonical SMILES |
N#Cc1ccc2c(c1)CCC/C2=C/c1c[nH]cn1
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| InChI |
InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7-
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| InChIKey |
AEBLXEQBDHHLKP-QPEQYQDCSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial