General Information of the Compound
| Compound ID |
CP0422525
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| Compound Name |
2-[3-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propylamino]butylamino]propyl]-1-naphthalen-2-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(Nc1ccc2ccccc2c1)=NCCCNCCCCNCCCN=C(N)Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H42N8/c33-31(39-29-15-13-25-9-1-3-11-27(25)23-29)37-21-7-19-35-17-5-6-18-36-20-8-22-38-32(34)40-30-16-14-26-10-2-4-12-28(26)24-30/h1-4,9-16,23-24,35-36H,5-8,17-22H2,(H3,33,37,39)(H3,34,38,40)
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| InChIKey |
MNJSVXNFNCDWPB-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