General Information of the Compound
| Compound ID |
CP0572847
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| Compound Name |
N-[(3aS,4S,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-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 |
C25H33N9O6
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| Molecular Weight |
555.596
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| Canonical SMILES |
CN1CC(=O)N(C[C@@H]2NC(=N)N3C[C@H](NC(=O)c4cccc5c4OCCC5(C)C)C(O)(O)[C@@]33NC(=N)N[C@@H]23)C1=O
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| InChI |
InChI=1S/C25H33N9O6/c1-23(2)7-8-40-17-12(5-4-6-13(17)23)19(36)29-15-10-34-21(27)28-14(9-33-16(35)11-32(3)22(33)37)18-24(34,25(15,38)39)31-20(26)30-18/h4-6,14-15,18,38-39H,7-11H2,1-3H3,(H2,27,28)(H,29,36)(H3,26,30,31)/t14-,15-,18-,24-/m0/s1
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| InChIKey |
RNBVOMUGCJJLCL-LHXNNTKVSA-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