General Information of the Compound
| Compound ID |
CP0538079
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| Compound Name |
N3-(3-chloro-4- fluorophenyl)- 6-nitrobenzo- furan-2,3- diamine
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| Structure |
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| Formula |
C14H9ClFN3O3
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| Molecular Weight |
321.695
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| Canonical SMILES |
Nc1oc2cc(ccc2c1Nc1ccc(F)c(Cl)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H9ClFN3O3/c15-10-5-7(1-4-11(10)16)18-13-9-3-2-8(19(20)21)6-12(9)22-14(13)17/h1-6,18H,17H2
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| InChIKey |
YCMOTVAPZWSZJO-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