General Information of the Compound
| Compound ID |
CP0436814
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| Compound Name |
2-(4-Nitro-benzyl)-naphthalen-1-ol
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| Structure |
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| Formula |
C17H13NO3
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| Molecular Weight |
279.295
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| Canonical SMILES |
Oc1c(Cc2ccc(cc2)[N+]([O-])=O)ccc2ccccc12
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| InChI |
InChI=1S/C17H13NO3/c19-17-14(8-7-13-3-1-2-4-16(13)17)11-12-5-9-15(10-6-12)18(20)21/h1-10,19H,11H2
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| InChIKey |
FZMRNPMIXZXLKA-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