General Information of the Compound
| Compound ID |
CP0166390
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| Compound Name |
MLS000541553
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| Structure |
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| Formula |
C16H15N5
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| Molecular Weight |
277.331
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| Canonical SMILES |
CN(C)c1nc(nnc1-c1ccccc1)-c1ccccn1
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| InChI |
InChI=1S/C16H15N5/c1-21(2)16-14(12-8-4-3-5-9-12)19-20-15(18-16)13-10-6-7-11-17-13/h3-11H,1-2H3
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| InChIKey |
HAFZKOVMNKGNKS-UHFFFAOYSA-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: PT06109, Geminin
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha