General Information of the Compound
| Compound ID |
CP0650450
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| Compound Name |
SID56436645
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| Structure |
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| Formula |
C18H16N2
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| Molecular Weight |
260.34
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| Canonical SMILES |
c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
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| InChIKey |
UTGQNNCQYDRXCH-UHFFFAOYSA-N
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| CAS |
66746-42-7
72711-53-6
74-31-7
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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: PT06109, Geminin
Protein ID: PT00901, Prostaglandin G/H synthase 2