General Information of the Compound
| Compound ID |
CP0430624
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| Compound Name |
3-methyl-5-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)aniline
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| Structure |
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| Formula |
C29H33N5
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| Molecular Weight |
451.618
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| Canonical SMILES |
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(-c5cc(C)cc(N)c5)c(C)c34)c2)CC1
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| InChI |
InChI=1S/C29H33N5/c1-20-15-24(18-25(30)16-20)26-8-10-28-29(21(26)2)27(31-32-28)9-7-22-5-4-6-23(17-22)19-34-13-11-33(3)12-14-34/h4-10,15-18H,11-14,19,30H2,1-3H3,(H,31,32)/b9-7+
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| InChIKey |
FMMQGWSMYANLDD-VQHVLOKHSA-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