General Information of the Compound
| Compound ID |
CP0569884
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| Compound Name |
N-[(3aS,4S,9S,10aS)-2,6-diamino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-10,10-dihydroxy-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 |
C23H28N8O5
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| Molecular Weight |
496.528
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| Canonical SMILES |
OC1(O)[C@H](CN2C(=N)N[C@@H](CN3C(=O)CCC3=O)[C@@H]3NC(=N)N[C@]123)NC(=O)c1cccc2CCCc12
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| InChI |
InChI=1S/C23H28N8O5/c24-20-28-18-14(9-30-16(32)7-8-17(30)33)26-21(25)31-10-15(23(35,36)22(18,31)29-20)27-19(34)13-6-2-4-11-3-1-5-12(11)13/h2,4,6,14-15,18,35-36H,1,3,5,7-10H2,(H2,25,26)(H,27,34)(H3,24,28,29)/t14-,15-,18-,22-/m0/s1
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| InChIKey |
UZYWINVHBDLFQB-FEHLYQECSA-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha