General Information of the Compound
| Compound ID |
CP0060157
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| Compound Name |
US8987474, Hematin
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| Formula |
C16H12O6
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| Molecular Weight |
300.266
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| Canonical SMILES |
OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O
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| InChI |
InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2
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| InChIKey |
HLUCICHZHWJHLL-UHFFFAOYSA-N
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| CAS |
53986-81-5
475-25-2
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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