General Information of the Compound
| Compound ID |
CP0001360
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| Compound Name |
(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-nitro-2-furanyl)-2-propenenitrile
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| Structure |
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| Formula |
C15H10N4O3
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| Molecular Weight |
294.27
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| Canonical SMILES |
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)[N+]([O-])=O)C#N
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| InChI |
InChI=1S/C15H10N4O3/c1-9-2-4-12-13(6-9)18-15(17-12)10(8-16)7-11-3-5-14(22-11)19(20)21/h2-7H,1H3,(H,17,18)/b10-7-
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| InChIKey |
KYFKUQZHXQMABC-YFHOEESVSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3