General Information of the Compound
| Compound ID |
CP0554615
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| Compound Name |
5-((S)-2-Guanidino-3-phenyl-propionylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C33H38N10O2
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| Molecular Weight |
606.735
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| Canonical SMILES |
NC(N)=NCCCn1c(cc2cc(NC(=O)[C@H](Cc3ccccc3)N=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H38N10O2/c34-32(35)39-14-6-16-43-28-12-11-24(41-30(44)27(42-33(36)37)17-21-7-2-1-3-8-21)18-23(28)19-29(43)31(45)38-15-13-22-20-40-26-10-5-4-9-25(22)26/h1-5,7-12,18-20,27,40H,6,13-17H2,(H,38,45)(H,41,44)(H4,34,35,39)(H4,36,37,42)/t27-/m0/s1
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| InChIKey |
FTGLEOJXTVUCBP-MHZLTWQESA-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