General Information of the Compound
Compound ID |
CP0548163
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Compound Name |
sodium;5-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
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Structure |
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Formula |
C15H10Br2N7NaS
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Molecular Weight |
503.159
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Canonical SMILES |
[Na+].Brc1nnc(SCc2nnn[n-]2)n1Cc1ccc(Br)c2ccccc12
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InChI |
InChI=1S/C15H10Br2N7S.Na/c16-12-6-5-9(10-3-1-2-4-11(10)12)7-24-14(17)20-21-15(24)25-8-13-18-22-23-19-13;/h1-6H,7-8H2;/q-1;+1
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InChIKey |
VANQDVBFKXYNCA-UHFFFAOYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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