General Information of the Compound
| Compound ID |
CP0914473
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| Compound Name |
(E)-1,8-Dihydroxy-10-[3-(4-nitro-phenyl)-acryloyl]-10H-anthracen-9-one
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| Structure |
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| Formula |
C23H15NO6
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| Molecular Weight |
401.374
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| Canonical SMILES |
O=C1c2c(O)cccc2C(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cccc(O)c21
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| InChI |
InChI=1S/C23H15NO6/c25-17-5-1-3-15-20(16-4-2-6-18(26)22(16)23(28)21(15)17)19(27)12-9-13-7-10-14(11-8-13)24(29)30/h1-12,20,25-26H/b12-9+
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| InChIKey |
VIGFACAVDTVYPO-FMIVXFBMSA-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