General Information of the Compound
| Compound ID |
CP0440337
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| Compound Name |
CHEMBL1916239
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| Formula |
C18H21F3N2O2
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| Molecular Weight |
354.372
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| Canonical SMILES |
CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1(C)C
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| InChI |
InChI=1S/C18H21F3N2O2/c1-10(24)23-14-16(2,3)15(17(14,4)5)25-12-7-6-11(9-22)13(8-12)18(19,20)21/h6-8,14-15H,1-5H3,(H,23,24)/t14-,15-
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| InChIKey |
URADNFWSEYDNBU-SHTZXODSSA-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