General Information of the Compound
| Compound ID |
CP0452376
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| Compound Name |
1-[4-[[amino(anilino)methylidene]amino]butyl]-1-[3-[[amino(anilino)methylidene]amino]propyl]-2-phenylguanidine
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| Structure |
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| Formula |
C28H37N9
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| Molecular Weight |
499.667
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| Canonical SMILES |
NC(Nc1ccccc1)=NCCCCN(CCCN=C(N)Nc1ccccc1)C(=N)Nc1ccccc1
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| InChI |
InChI=1S/C28H37N9/c29-26(34-23-13-4-1-5-14-23)32-19-10-11-21-37(28(31)36-25-17-8-3-9-18-25)22-12-20-33-27(30)35-24-15-6-2-7-16-24/h1-9,13-18H,10-12,19-22H2,(H2,31,36)(H3,29,32,34)(H3,30,33,35)
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| InChIKey |
ASLYPGQJJKJRQX-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