General Information of the Compound
| Compound ID |
CP0787722
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| Compound Name |
SID104222625
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| Structure |
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| Formula |
C19H24N6O3
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| Molecular Weight |
384.44
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| Canonical SMILES |
Oc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1
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| InChI |
InChI=1S/C19H24N6O3/c26-16-3-1-2-15(12-16)14-20-23-17-13-18(24-4-8-27-9-5-24)22-19(21-17)25-6-10-28-11-7-25/h1-3,12-14,26H,4-11H2,(H,21,22,23)/b20-14+
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| InChIKey |
FIURPTDRHKSEQS-XSFVSMFZSA-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: PT06765, Hepcidin