General Information of the Compound
| Compound ID |
CP0415026
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| Compound Name |
1-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propyl]-1-[4-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propylamino]butyl]-2-naphthalen-1-ylguanidine
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| Structure |
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| Formula |
C43H50N10
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| Molecular Weight |
706.943
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| Canonical SMILES |
NC(Nc1cccc2ccccc12)=NCCCNCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C43H50N10/c44-41(50-38-23-9-17-32-14-1-4-20-35(32)38)48-28-12-27-47-26-7-8-30-53(43(46)52-40-25-11-19-34-16-3-6-22-37(34)40)31-13-29-49-42(45)51-39-24-10-18-33-15-2-5-21-36(33)39/h1-6,9-11,14-25,47H,7-8,12-13,26-31H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51)
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| InChIKey |
WXEORFAZCKQUIT-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