General Information of the Compound
| Compound ID |
CP0479986
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| Compound Name |
CHEMBL4743724
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| Formula |
C22H22ClF3N2O2
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| Molecular Weight |
438.877
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| Canonical SMILES |
C[C@@H]([C@H]1CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClF3N2O2/c1-13(19(29)28-17-4-2-16(23)3-5-17)14-6-8-21(9-7-14)12-30-20-18(21)10-15(11-27-20)22(24,25)26/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,28,29)/t13-,14-,21-/m0/s1
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| InChIKey |
LARQRQRFGGPTHE-RXSFTSLZSA-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