General Information of the Compound
| Compound ID |
CP0210606
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| Compound Name |
US8575114, I-6
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| Structure |
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| Formula |
C20H22ClN3O7
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| Molecular Weight |
451.863
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cn2nc3ccc(CO)cn3c2=O)c1
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| InChI |
InChI=1S/C20H22ClN3O7/c21-13-3-2-11(19-18(29)17(28)16(27)14(9-26)31-19)5-12(13)7-24-20(30)23-6-10(8-25)1-4-15(23)22-24/h1-6,14,16-19,25-29H,7-9H2/t14-,16-,17+,18-,19+/m1/s1
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| InChIKey |
LCAMLDTVWALNHH-FTWQHDNSSA-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