General Information of the Compound
| Compound ID |
CP0120490
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| Compound Name |
US8575114, I-5
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| Structure |
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| Formula |
C20H19ClF3N3O6
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| Molecular Weight |
489.834
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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(cn3c2=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H19ClF3N3O6/c21-12-3-1-9(18-17(31)16(30)15(29)13(8-28)33-18)5-10(12)6-27-19(32)26-7-11(20(22,23)24)2-4-14(26)25-27/h1-5,7,13,15-18,28-31H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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| InChIKey |
TXXJMDCSAIEKEQ-LHKMKVQPSA-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