General Information of the Compound
| Compound ID |
CP0416887
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| Compound Name |
1,3-dichloro-7-(3-chloro-4-hydroxy-6-methoxy-2-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
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| Structure |
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| Formula |
C28H21Cl3O7
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| Molecular Weight |
575.828
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| Canonical SMILES |
COc1cc(O)c(Cl)c(C)c1-c1cc(O)cc2cc3c(C(=O)c4c(O)c(Cl)c(O)c(Cl)c4C3(C)C)c(O)c12
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| InChI |
InChI=1S/C28H21Cl3O7/c1-9-16(15(38-4)8-14(33)21(9)29)12-7-11(32)5-10-6-13-18(24(34)17(10)12)25(35)19-20(28(13,2)3)22(30)27(37)23(31)26(19)36/h5-8,32-34,36-37H,1-4H3
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| InChIKey |
PBPUMYYCMXRCKC-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