General Information of the Compound
| Compound ID |
CP0158395
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| Compound Name |
Benzotriazole ester, 13
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| Structure |
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| Formula |
C14H10N4O3
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| Molecular Weight |
282.259
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| Canonical SMILES |
O=C(Cn1nnc2ccccc12)c1ccc(cc1)N(=O)=O
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| InChI |
InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2
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| InChIKey |
XJLCWAVWERRVAR-UHFFFAOYSA-N
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| CAS |
5272-13-9
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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