General Information of the Compound
| Compound ID |
CP0452377
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| Compound Name |
2-[3-[4-[[amino(anilino)methylidene]amino]butylamino]propyl]-1-phenylguanidine
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| Structure |
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| Formula |
C21H31N7
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| Molecular Weight |
381.528
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| Canonical SMILES |
NC(Nc1ccccc1)=NCCCCNCCCN=C(N)Nc1ccccc1
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| InChI |
InChI=1S/C21H31N7/c22-20(27-18-10-3-1-4-11-18)25-16-8-7-14-24-15-9-17-26-21(23)28-19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2,(H3,22,25,27)(H3,23,26,28)
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| InChIKey |
USXUJVQXSFBIBC-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