General Information of the Compound
| Compound ID |
CP0558798
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| Compound Name |
CHEMBL4754615
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| Formula |
C23H23ClF3NO2
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| Molecular Weight |
437.889
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| Canonical SMILES |
C[C@H]([C@H]1CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H23ClF3NO2/c1-14(21(29)28-18-5-3-17(24)4-6-18)15-8-10-22(11-9-15)13-30-20-12-16(23(25,26)27)2-7-19(20)22/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,29)/t14-,15-,22-/m1/s1
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| InChIKey |
WPNANUSCDOZUBH-DOQJBMMISA-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
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase