General Information of the Compound
| Compound ID |
CP0376392
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| Compound Name |
N-[6-methyl-3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C28H31N5OS
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| Molecular Weight |
485.657
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| Canonical SMILES |
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4cc(C)c(NC(=O)Cc5cccs5)cc34)c2)CC1
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| InChI |
InChI=1S/C28H31N5OS/c1-20-15-27-24(18-26(20)29-28(34)17-23-7-4-14-35-23)25(30-31-27)9-8-21-5-3-6-22(16-21)19-33-12-10-32(2)11-13-33/h3-9,14-16,18H,10-13,17,19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
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| InChIKey |
JNCRJZQZLMYLLM-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