General Information of the Compound
| Compound ID |
CP0580050
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| Compound Name |
5-(1H-indol-3-yl)-4-nitro-2H-benzotriazole
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| Formula |
C14H9N5O2
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| Molecular Weight |
279.259
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| Canonical SMILES |
[O-][N+](=O)c1c(ccc2nn[nH]c12)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C14H9N5O2/c20-19(21)14-9(5-6-12-13(14)17-18-16-12)10-7-15-11-4-2-1-3-8(10)11/h1-7,15H,(H,16,17,18)
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| InChIKey |
VTPSKTIVVWZZET-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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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