General Information of the Compound
| Compound ID |
CP0483772
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| Compound Name |
1-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propyl]-1-[4-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propyl-(N'-naphthalen-1-ylcarbamimidoyl)amino]butyl]-2-naphthalen-1-ylguanidine
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| Structure |
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| Formula |
C54H58N12
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| Molecular Weight |
875.142
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| Canonical SMILES |
NC(NCCCN(CCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)=Nc1cccc2ccccc12
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| InChI |
InChI=1S/C54H58N12/c55-51(61-47-29-11-21-39-17-1-5-25-43(39)47)59-33-15-37-65(53(57)63-49-31-13-23-41-19-3-7-27-45(41)49)35-9-10-36-66(54(58)64-50-32-14-24-42-20-4-8-28-46(42)50)38-16-34-60-52(56)62-48-30-12-22-40-18-2-6-26-44(40)48/h1-8,11-14,17-32H,9-10,15-16,33-38H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62)
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| InChIKey |
FKXXKCHODAGTCK-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