General Information of the Compound
| Compound ID |
CP0452374
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| Compound Name |
1-[4-[[amino-(naphthalen-1-ylamino)methylidene]amino]butyl]-1-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propyl]-2-naphthalen-1-ylguanidine
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| Structure |
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| Formula |
C40H43N9
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| Molecular Weight |
649.847
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| Canonical SMILES |
NC(Nc1cccc2ccccc12)=NCCCCN(CCCN=C(N)Nc1cccc2ccccc12)C(N)=Nc1cccc2ccccc12
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| InChI |
InChI=1S/C40H43N9/c41-38(46-35-22-9-16-29-13-1-4-19-32(29)35)44-25-7-8-27-49(40(43)48-37-24-11-18-31-15-3-6-21-34(31)37)28-12-26-45-39(42)47-36-23-10-17-30-14-2-5-20-33(30)36/h1-6,9-11,13-24H,7-8,12,25-28H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47)
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| InChIKey |
WYCIMGULZDZOEV-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