General Information of the Compound
| Compound ID |
CP0430626
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| Compound Name |
4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrrolidin-1-yl)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H33N7O3S
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| Molecular Weight |
523.663
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1
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| InChI |
InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+
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| InChIKey |
OAIDOYYRSBXKJG-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