General Information of the Compound
| Compound ID |
CP0477500
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| Compound Name |
N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C25H24N4OS
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| Molecular Weight |
428.561
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| Canonical SMILES |
O=C(Cc1cccs1)Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1
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| InChI |
InChI=1S/C25H24N4OS/c30-25(15-19-9-6-14-31-19)26-23-16-20-21(11-10-18-7-2-1-3-8-18)27-28-22(20)17-24(23)29-12-4-5-13-29/h1-3,6-11,14,16-17H,4-5,12-13,15H2,(H,26,30)(H,27,28)/b11-10+
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| InChIKey |
BOWWSMXUIIXBOU-ZHACJKMWSA-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