General Information of the Compound
| Compound ID |
CP0903999
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| Compound Name |
SID144210085
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| Structure |
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| Formula |
C6H5N3O5
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| Molecular Weight |
199.122
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| Canonical SMILES |
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
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| InChI |
InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
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| InChIKey |
QXYMVUZOGFVPGH-UHFFFAOYSA-N
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| CAS |
96-91-3
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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