General Information of the Compound
| Compound ID |
CP0499174
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| Compound Name |
2-[3-[4-[[amino-(naphthalen-2-ylamino)methylidene]amino]butylamino]propyl]-1-naphthalen-2-ylguanidine
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| Structure |
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| Formula |
C29H35N7
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| Molecular Weight |
481.648
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| Canonical SMILES |
NC(Nc1ccc2ccccc2c1)=NCCCCNCCCN=C(N)Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C29H35N7/c30-28(35-26-14-12-22-8-1-3-10-24(22)20-26)33-18-6-5-16-32-17-7-19-34-29(31)36-27-15-13-23-9-2-4-11-25(23)21-27/h1-4,8-15,20-21,32H,5-7,16-19H2,(H3,30,33,35)(H3,31,34,36)
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| InChIKey |
WXOMRQWOWZSVHC-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