General Information of the Compound
| Compound ID |
CP0395258
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| Compound Name |
4,5-Dihydroxy-10H-anthracen-9-one
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| Synonyms |
1,8-dihydroxy-10-anthrone
4,5-Dihydroxy-10H-anthracen-9-one
BDBM50060858
CHEMBL124951
Isoanthralin
ZINC13606497
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| Structure |
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| Formula |
C14H10O3
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| Molecular Weight |
226.231
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| Canonical SMILES |
Oc1cccc2C(=O)c3cccc(O)c3Cc12
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| InChI |
InChI=1S/C14H10O3/c15-12-5-1-3-8-10(12)7-11-9(14(8)17)4-2-6-13(11)16/h1-6,15-16H,7H2
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| InChIKey |
BGECJMUUSSERAU-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
Clinical Information about the Compound