General Information of the Compound
| Compound ID |
CP0059457
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| Compound Name |
8-Cyclopentyl-6-ethyl-3-thiophen-2-yl-5,8-dihydro-4H-1,2,3a,7,8-pentaaza-as-indacene
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| Synonyms |
9-Cyclopentyl-7-ethyl-3-(2-thienyl)-5,6-dihydro-9H-pyrazolo[3,4-c][1,2,4]triazolo[4,3-a]pyridine
CP-325366
TOFIMILAST
Tofimilast < Prop INN
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| Structure |
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| Formula |
C18H21N5S
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| Molecular Weight |
339.468
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| Canonical SMILES |
CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1
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| InChI |
InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
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| InChIKey |
DHCOPPHTVOXDKU-UHFFFAOYSA-N
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| CAS |
185954-27-2
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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