General Information of the Compound
| Compound ID |
CP0571659
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| Compound Name |
N-[(3aS,4S,9S,10aS)-2,6-diamino-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]-4,4-dimethyl-2,3-dihydrochromene-8-carboxamide
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| Structure |
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| Formula |
C24H31N9O6
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| Molecular Weight |
541.569
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| Canonical SMILES |
CC1(C)CCOc2c(cccc12)C(=O)N[C@H]1CN2C(=N)N[C@@H](CN3C(=O)CNC3=O)[C@@H]3NC(=N)N[C@]23C1(O)O
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| InChI |
InChI=1S/C24H31N9O6/c1-22(2)6-7-39-16-11(4-3-5-12(16)22)18(35)29-14-10-33-20(26)28-13(9-32-15(34)8-27-21(32)36)17-23(33,24(14,37)38)31-19(25)30-17/h3-5,13-14,17,37-38H,6-10H2,1-2H3,(H2,26,28)(H,27,36)(H,29,35)(H3,25,30,31)/t13-,14-,17-,23-/m0/s1
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| InChIKey |
ZYIDVGBHOFGXRR-AJYHCQFMSA-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