General Information of the Compound
| Compound ID |
CP0454335
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| Compound Name |
CHEMBL271776
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| Formula |
C21H24F3NO5
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| Molecular Weight |
427.419
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| Canonical SMILES |
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3NO5/c1-13-17(6-4-3-5-14-11-28-20(2,19(26)27)29-12-14)25-18(30-13)15-7-9-16(10-8-15)21(22,23)24/h7-10,14H,3-6,11-12H2,1-2H3,(H,26,27)/t14-,20+
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| InChIKey |
KAUNZIIPVKQMIZ-LDTOLXSISA-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