General Information of the Compound
| Compound ID |
CP0418474
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| Compound Name |
CHEMBL4848514
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| Formula |
C24H23ClN4O
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| Molecular Weight |
418.928
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccc(cc12)C#N
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| InChI |
InChI=1S/C24H23ClN4O/c1-2-20(28-24(30)15-4-6-16(25)7-5-15)23-18-10-17(11-19(18)23)29-13-27-21-8-3-14(12-26)9-22(21)29/h3-9,13,17-20,23H,2,10-11H2,1H3,(H,28,30)/t17-,18-,19+,20-,23+/m1/s1
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| InChIKey |
YEQHIFFFTHFJOH-MZSWFSNMSA-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