General Information of the Compound
| Compound ID |
CP0408789
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| Compound Name |
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]docosanediamide
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| Structure |
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| Formula |
C36H64N10O2S2
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| Molecular Weight |
733.11
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| Canonical SMILES |
NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1
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| InChI |
InChI=1S/C36H64N10O2S2/c37-33(41-25-19-21-29-27-43-35(39)49-29)45-31(47)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-32(48)46-34(38)42-26-20-22-30-28-44-36(40)50-30/h27-28H,1-26H2,(H2,39,43)(H2,40,44)(H3,37,41,45,47)(H3,38,42,46,48)
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| InChIKey |
IKJGQYUNKRCUJE-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