General Information of the Compound
| Compound ID |
CP0478841
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| Compound Name |
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate
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| Structure |
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| Formula |
C11H18N6O4
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| Molecular Weight |
298.303
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| Canonical SMILES |
CC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
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| InChI |
InChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7-,11-/m0/s1
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| InChIKey |
FYMGGEYPNDYSSU-HFJPGXAFSA-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: PT04967, Sodium channel protein type 4 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha