General Information of the Compound
| Compound ID |
CP0318689
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| Compound Name |
GMX1778
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| Synonyms |
CHS-828
Cancer therapeutics, LEO Pharma
GMX-1778
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| Structure |
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| Formula |
C19H22ClN5O
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| Molecular Weight |
371.872
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| Canonical SMILES |
Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1
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| InChI |
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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| InChIKey |
BOIPLTNGIAPDBY-UHFFFAOYSA-N
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| CAS |
200484-11-3
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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: PT01903, Nicotinamide phosphoribosyltransferase
Clinical Information about the Compound