General Information of the Compound
| Compound ID |
CP0417624
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| Compound Name |
4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazole-5-carbonitrile
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| Structure |
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| Formula |
C23H25N5
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| Molecular Weight |
371.488
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| Canonical SMILES |
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(C#N)c(C)c34)c2)CC1
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| InChI |
InChI=1S/C23H25N5/c1-17-20(15-24)7-9-22-23(17)21(25-26-22)8-6-18-4-3-5-19(14-18)16-28-12-10-27(2)11-13-28/h3-9,14H,10-13,16H2,1-2H3,(H,25,26)/b8-6+
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| InChIKey |
XTWXMJDVQOEURD-SOFGYWHQSA-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