General Information of the Compound
| Compound ID |
CP0512750
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| Compound Name |
CHEMBL4761104
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| Formula |
C23H24ClF3N2O2
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| Molecular Weight |
452.904
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| Canonical SMILES |
CC[C@@H]([C@H]1CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H24ClF3N2O2/c1-2-17(21(30)29-20-6-4-16(24)12-28-20)14-7-9-22(10-8-14)13-31-19-11-15(23(25,26)27)3-5-18(19)22/h3-6,11-12,14,17H,2,7-10,13H2,1H3,(H,28,29,30)/t14-,17-,22-/m0/s1
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| InChIKey |
SNBNANJOLFSXST-JKXTWKSPSA-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