General Information of the Compound
| Compound ID |
CP0165495
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| Compound Name |
MLS000771265
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| Structure |
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| Formula |
C14H13N3O5
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| Molecular Weight |
303.274
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| Canonical SMILES |
C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H13N3O5/c1-9(15-14(19)12-6-3-7-22-12)13(18)16-10-4-2-5-11(8-10)17(20)21/h2-9H,1H3,(H,15,19)(H,16,18)/t9-/m0/s1
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| InChIKey |
FSKPYEMQRPLHCN-VIFPVBQESA-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