General Information of the Compound
| Compound ID |
CP0452375
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| Compound Name |
1-[3-[[amino(anilino)methylidene]amino]propyl]-1-[4-[3-[[amino(anilino)methylidene]amino]propyl-(N'-phenylcarbamimidoyl)amino]butyl]-2-phenylguanidine
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| Structure |
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| Formula |
C38H50N12
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| Molecular Weight |
674.902
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| Canonical SMILES |
NC(NCCCN(CCCCN(CCCN=C(N)Nc1ccccc1)C(N)=Nc1ccccc1)C(=N)Nc1ccccc1)=Nc1ccccc1
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| InChI |
InChI=1S/C38H50N12/c39-35(45-31-17-5-1-6-18-31)43-25-15-29-49(37(41)47-33-21-9-3-10-22-33)27-13-14-28-50(38(42)48-34-23-11-4-12-24-34)30-16-26-44-36(40)46-32-19-7-2-8-20-32/h1-12,17-24H,13-16,25-30H2,(H2,41,47)(H2,42,48)(H3,39,43,45)(H3,40,44,46)
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| InChIKey |
UXUKCVPKCWDLKG-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