General Information of the Compound
| Compound ID |
CP0422691
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| Compound Name |
CHEMBL4856710
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| Formula |
C24H22ClFN2O
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| Molecular Weight |
408.904
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| Canonical SMILES |
CC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)c1ccnc2ccc(F)cc12
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| InChI |
InChI=1S/C24H22ClFN2O/c1-13(28-24(29)14-2-4-16(25)5-3-14)23-20-10-15(11-21(20)23)18-8-9-27-22-7-6-17(26)12-19(18)22/h2-9,12-13,15,20-21,23H,10-11H2,1H3,(H,28,29)/t13?,15-,20-,21+,23+
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| InChIKey |
PZFCCDACDZEZSJ-SYMSHFKGSA-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: PT03388, Indoleamine 2,3-dioxygenase 1