General Information of the Compound
| Compound ID |
CP0511504
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| Compound Name |
2-[3-[4-[[amino-(naphthalen-1-ylamino)methylidene]amino]butylamino]propyl]-1-naphthalen-1-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(Nc1cccc2ccccc12)=NCCCCNCCCN=C(N)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C29H35N7/c30-28(35-26-16-7-12-22-10-1-3-14-24(22)26)33-20-6-5-18-32-19-9-21-34-29(31)36-27-17-8-13-23-11-2-4-15-25(23)27/h1-4,7-8,10-17,32H,5-6,9,18-21H2,(H3,30,33,35)(H3,31,34,36)
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| InChIKey |
KMORODMDBUTZGM-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