General Information of the Compound
| Compound ID |
CP0343389
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| Compound Name |
CHEMBL4846783
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| Formula |
C23H20F2N4O
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| Molecular Weight |
406.436
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| Canonical SMILES |
C[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/C23H20F2N4O/c1-12(28-23(30)14-4-2-13(10-26)3-5-14)22-16-6-15(7-17(16)22)29-11-27-20-8-18(24)19(25)9-21(20)29/h2-5,8-9,11-12,15-17,22H,6-7H2,1H3,(H,28,30)/t12-,15-,16-,17+,22+/m1/s1
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| InChIKey |
OBGUBJZQWKCXEQ-LEJLEWFMSA-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