General Information of the Compound
| Compound ID |
CP0569071
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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]-4,4-dimethyl-2,3-dihydrochromene-8-carboxamide
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| Structure |
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| Formula |
C25H32N8O6
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| Molecular Weight |
540.581
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| Canonical SMILES |
CC1(C)CCOc2c(cccc12)C(=O)N[C@H]1CN2C(=N)N[C@@H](CN3C(=O)CCC3=O)[C@@H]3NC(=N)N[C@]23C1(O)O
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| InChI |
InChI=1S/C25H32N8O6/c1-23(2)8-9-39-18-12(4-3-5-13(18)23)20(36)29-15-11-33-22(27)28-14(10-32-16(34)6-7-17(32)35)19-24(33,25(15,37)38)31-21(26)30-19/h3-5,14-15,19,37-38H,6-11H2,1-2H3,(H2,27,28)(H,29,36)(H3,26,30,31)/t14-,15-,19-,24-/m0/s1
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| InChIKey |
JVHULALUEWCDKJ-GKEROPHJSA-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