General Information of the Compound
| Compound ID |
CP0107261
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| Compound Name |
CAS_117690-79-6
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| Synonyms |
GTPL3351
HMS3649C08
LY-255283
MolPort-009-018-745
SR-01000946596
SR-01000946596-1
ZINC27644044
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| Structure |
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| Formula |
C19H28N4O3
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| Molecular Weight |
360.458
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| Canonical SMILES |
CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
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| InChI |
InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
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| InChIKey |
WCGXJPFHTHQNJL-UHFFFAOYSA-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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Clinical Information about the Compound