General Information of the Compound
| Compound ID |
CP0376393
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| Compound Name |
5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
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| Structure |
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| Formula |
C19H18N4O2
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| Molecular Weight |
334.379
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| Canonical SMILES |
[O-][N+](=O)c1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
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| InChI |
InChI=1S/C19H18N4O2/c24-23(25)19-12-15-16(9-8-14-6-2-1-3-7-14)20-21-17(15)13-18(19)22-10-4-5-11-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)/b9-8+
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| InChIKey |
HBGNZQRVHBIHPS-CMDGGOBGSA-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: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B