General Information of the Compound
| Compound ID |
CP0063175
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| Compound Name |
2-(2-Hydroxy-ethylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione(ALE-0540)
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| Structure |
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| Formula |
C14H11N3O5
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| Molecular Weight |
301.258
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| Canonical SMILES |
OCCNN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
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| InChI |
InChI=1S/C14H11N3O5/c18-5-4-15-16-13(19)10-3-1-2-8-6-9(17(21)22)7-11(12(8)10)14(16)20/h1-3,6-7,15,18H,4-5H2
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| InChIKey |
SURCGQGDUADKBL-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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