General Information of the Compound
| Compound ID |
CP0496305
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| Compound Name |
(2S,3S,4R,5R)-5-[6-Amino-2-(3-cyclopentyl-propionylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide
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| Structure |
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| Formula |
C20H29N7O5
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| Molecular Weight |
447.496
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12
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| InChI |
InChI=1S/C20H29N7O5/c1-2-22-18(31)15-13(29)14(30)19(32-15)27-9-23-12-16(21)25-20(26-17(12)27)24-11(28)8-7-10-5-3-4-6-10/h9-10,13-15,19,29-30H,2-8H2,1H3,(H,22,31)(H3,21,24,25,26,28)/t13-,14+,15-,19+/m0/s1
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| InChIKey |
VNYJXPNVZRWZAF-QCUYGVNKSA-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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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