General Information of the Compound
| Compound ID |
CP0496440
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| Compound Name |
1-(3-Nitro-phenyl)-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C9H10N4O3
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| Molecular Weight |
222.204
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)N1CCNC(=O)N1
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| InChI |
InChI=1S/C9H10N4O3/c14-9-10-4-5-12(11-9)7-2-1-3-8(6-7)13(15)16/h1-3,6H,4-5H2,(H2,10,11,14)
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| InChIKey |
FYBOWMYYBNAGMU-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