General Information of the Compound
| Compound ID |
CP0577066
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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]-2,3-dihydro-1H-indene-4-carboxamide
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| Structure |
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| Formula |
C19H25N7O4
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| Molecular Weight |
415.454
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| Canonical SMILES |
OC[C@@H]1NC(=N)N2C[C@H](NC(=O)c3cccc4CCCc34)C(O)(O)[C@@]22NC(=N)N[C@@H]12
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| InChI |
InChI=1S/C19H25N7O4/c20-16-24-14-12(8-27)22-17(21)26-7-13(19(29,30)18(14,26)25-16)23-15(28)11-6-2-4-9-3-1-5-10(9)11/h2,4,6,12-14,27,29-30H,1,3,5,7-8H2,(H2,21,22)(H,23,28)(H3,20,24,25)/t12-,13-,14-,18-/m0/s1
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| InChIKey |
ZQXXVCXFDRFOAC-NUXNZHGMSA-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