General Information of the Compound
| Compound ID |
CP0575726
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| Compound Name |
N-[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-3,3-dimethyl-2H-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C20H27N7O5
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| Molecular Weight |
445.48
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| Canonical SMILES |
CC1(C)COc2c1cccc2C(=O)N[C@H]1CN2C(=N)N[C@@H](CO)[C@@H]3NC(=N)N[C@]23C1(O)O
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| InChI |
InChI=1S/C20H27N7O5/c1-18(2)8-32-13-9(4-3-5-10(13)18)15(29)24-12-6-27-17(22)23-11(7-28)14-19(27,20(12,30)31)26-16(21)25-14/h3-5,11-12,14,28,30-31H,6-8H2,1-2H3,(H2,22,23)(H,24,29)(H3,21,25,26)/t11-,12-,14-,19-/m0/s1
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| InChIKey |
ZUPILDXMDFYYGB-SWDXJLKVSA-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: PT03043, Sodium channel protein type 4 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha