General Information of the Compound
| Compound ID |
CP0430565
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| Compound Name |
CHEMBL4091437
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| Formula |
C23H23F3N2O5
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| Molecular Weight |
464.44
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| Canonical SMILES |
O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C23H23F3N2O5/c24-23(25,26)33-17-4-1-14(2-5-17)11-15-7-9-22(31,10-8-15)13-20(29)27-16-3-6-18-19(12-16)32-21(30)28-18/h1-6,12,15,31H,7-11,13H2,(H,27,29)(H,28,30)/t15-,22+
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| InChIKey |
XGGIYXZDIKGFST-FVUUGDKNSA-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