General Information of the Compound
| Compound ID |
CP0446992
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| Compound Name |
1-[4-[[amino-(naphthalen-2-ylamino)methylidene]amino]butyl]-1-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propyl]-2-naphthalen-2-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(Nc1ccc2ccccc2c1)=NCCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C40H43N9/c41-38(46-35-19-16-29-10-1-4-13-32(29)26-35)44-22-7-8-24-49(40(43)48-37-21-18-31-12-3-6-15-34(31)28-37)25-9-23-45-39(42)47-36-20-17-30-11-2-5-14-33(30)27-36/h1-6,10-21,26-28H,7-9,22-25H2,(H2,43,48)(H3,41,44,46)(H3,42,45,47)
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| InChIKey |
JMGNWOLSYCKVPR-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