General Information of the Compound
| Compound ID |
CP0005066
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| Compound Name |
NR9
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| Structure |
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| Formula |
C18H13N3OS2
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| Molecular Weight |
351.456
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| Canonical SMILES |
O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1
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| InChI |
InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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| InChIKey |
XOLMRFUGOINFDQ-YBEGLDIGSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000410 | SJSA-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 4550 nM
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TI
LI
LO
TS
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