General Information of the Compound
| Compound ID |
CP0176864
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| Compound Name |
CHEMBL4853672
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| Formula |
C24H22F2N4O
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| Molecular Weight |
420.463
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(cc1)C#N)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
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| InChI |
InChI=1S/C24H22F2N4O/c1-2-20(29-24(31)14-5-3-13(11-27)4-6-14)23-16-7-15(8-17(16)23)30-12-28-21-9-18(25)19(26)10-22(21)30/h3-6,9-10,12,15-17,20,23H,2,7-8H2,1H3,(H,29,31)/t15-,16-,17+,20-,23+/m1/s1
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| InChIKey |
AOIUNCWUUVPCDA-UENFOFCHSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2