General Information of the Compound
| Compound ID |
CP0668844
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| Compound Name |
1-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-indan-5-carbonitrile
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| Structure |
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| Formula |
C14H11N3
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| Molecular Weight |
221.263
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| Canonical SMILES |
N#Cc1ccc2c(c1)CC/C2=C\c1c[nH]cn1
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| InChI |
InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)/b12-6+
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| InChIKey |
FFOSLNTUQPRRRB-WUXMJOGZSA-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