General Information of the Compound
| Compound ID |
CP0541903
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| Compound Name |
CHEMBL491229
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| Formula |
C26H21FN2O2
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| Molecular Weight |
412.464
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C26H21FN2O2/c27-19-8-5-16(6-9-19)18-7-10-22-23(15-18)29-24(28-22)17-11-13-26(14-12-17)21-4-2-1-3-20(21)25(30)31-26/h1-10,15,17H,11-14H2,(H,28,29)/t17-,26-
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| InChIKey |
ZAQBYJHHGLITIO-PJCCXEONSA-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