General Information of the Compound
| Compound ID |
CP0422526
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| Compound Name |
2-[3-[4-[3-[[amino-(naphthalen-1-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-1-ylguanidine
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| Structure |
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| Formula |
C32H42N8
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| Molecular Weight |
538.744
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| Canonical SMILES |
NC(Nc1cccc2ccccc12)=NCCCNCCCCNCCCN=C(N)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C32H42N8/c33-31(39-29-17-7-13-25-11-1-3-15-27(25)29)37-23-9-21-35-19-5-6-20-36-22-10-24-38-32(34)40-30-18-8-14-26-12-2-4-16-28(26)30/h1-4,7-8,11-18,35-36H,5-6,9-10,19-24H2,(H3,33,37,39)(H3,34,38,40)
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| InChIKey |
HYRYDBPFIXNJEE-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