General Information of the Compound
| Compound ID |
CP0381928
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| Compound Name |
CVT-3619
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| Synonyms |
618380-90-8
6E68796C40
BDBM50149592
CHEMBL3545011
CVT 3619
CVT-3619
DTXSID40210823
EX-A2686
GS 9667
GS-9667
GS9667
GTPL5593
IZRXENCTXNMAMI-DIJFLQFKSA-N
SCHEMBL1150300
UNII-6E68796C40
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| Structure |
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| Formula |
C21H24FN5O4S
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| Molecular Weight |
461.519
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| Canonical SMILES |
O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1
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| InChIKey |
IZRXENCTXNMAMI-DIJFLQFKSA-N
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| CAS |
618380-90-8
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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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound