General Information of the Compound
| Compound ID |
CP0474060
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| Compound Name |
1-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propyl]-1-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butyl]-2-naphthalen-2-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(Nc1ccc2ccccc2c1)=NCCCNCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C43H50N10/c44-41(50-38-20-17-32-11-1-4-14-35(32)29-38)48-25-9-24-47-23-7-8-27-53(43(46)52-40-22-19-34-13-3-6-16-37(34)31-40)28-10-26-49-42(45)51-39-21-18-33-12-2-5-15-36(33)30-39/h1-6,11-22,29-31,47H,7-10,23-28H2,(H2,46,52)(H3,44,48,50)(H3,45,49,51)
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| InChIKey |
JYWAYBDOFZXUDQ-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