Synonyms: Rp-8-[(4-chlorophenyl)thio]-guanosine-cyclic 3',5'-hydrogen phosphorothioate
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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9
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Hydrogen bond donors
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4
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Rotatable bonds
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3
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Topological polar surface area
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221.84
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Molecular weight
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505
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XLogP
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1.21
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC1C2OP(O)(S)OCC2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O
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Isomeric SMILES
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O[C@H]1C2OP(O)(S)OC[C@H]2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O
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InChI
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InChI=1S/C16H17ClN5O6PS2/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(27-14)5-26-29(25,30)28-11/h1-4,8,10-11,14,23,25,29-30H,5H2,(H3,18,20,21,24)/t8-,10+,11?,14?/m1/s1
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InChI Key
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DACIPZKKJBVMPL-BRBYWKQGSA-N
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