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PDE-I2

CAT: 0931-T68191-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T68191-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98296-23-2
Target
Others
Related Pathways
Others
Bioactivity
PDE-I2 is a parasite schizogony inhibitor.
Smiles
O(C)C=1C2=C(C3=C(N(C(N)=O)CC3)C1O)C=C(C(=O)N4C5=C(CC4)C6=C(C(OC)=C5O)NC(C(O)=O)=C6)N2
Molecular Formula
C25H23N5O8
Molecular Weight
521.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

U-66226
CAS Number98296-23-2
PubChem CID163667
IUPAC Name6-(6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
Molecular FormulaC25H23N5O8
Molecular Weight521.5
XLogP1.5
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity985
SMILES
COC1=C2C(=C3CCN(C3=C1O)C(=O)C4=CC5=C6CCN(C6=C(C(=C5N4)OC)O)C(=O)N)C=C(N2)C(=O)O
InChI
InChI=1S/C25H23N5O8/c1-37-21-15-11(10-4-6-30(25(26)36)18(10)20(21)32)7-13(27-15)23(33)29-5-3-9-12-8-14(24(34)35)28-16(12)22(38-2)19(31)17(9)29/h7-8,27-28,31-32H,3-6H2,1-2H3,(H2,26,36)(H,34,35)
InChIKey
RONSDURFLNMVPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of U-66226
CAS: 98296-23-2
CID: 163667
Formula: C25H23N5O8
MW: 521.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.5
XLogP31.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass521.15466271
Monoisotopic Mass521.15466271
Topological Polar Surface Area194 Ų
Heavy Atom Count38
Formal Charge0
Complexity985
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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