General Information of the Compound
| Compound ID |
CP0378465
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| Compound Name |
1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophenyl)guanidine
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| Structure |
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| Formula |
C15H12ClN3O3
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| Molecular Weight |
317.732
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| Canonical SMILES |
NC(NC(=O)c1ccc2OCOc2c1)=Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C15H12ClN3O3/c16-10-2-1-3-11(7-10)18-15(17)19-14(20)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H3,17,18,19,20)
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| InChIKey |
KFUUNCWBPPWRGB-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