General Information of the Compound
| Compound ID |
CP0515863
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| Compound Name |
CHEMBL489608
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| Formula |
C23H17F3N4O3
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| Molecular Weight |
454.408
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C23H17F3N4O3/c24-23(25,26)21-29-19(30-33-21)13-5-6-16-17(11-13)28-18(27-16)12-7-9-22(10-8-12)15-4-2-1-3-14(15)20(31)32-22/h1-6,11-12H,7-10H2,(H,27,28)/t12-,22-
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| InChIKey |
FHCADCMGOCLSAT-ZCNVGUKTSA-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