General Information of the Compound
| Compound ID |
CP0058622
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| Compound Name |
2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[1-[[2-[benzyl(methyl)amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C37H50N8O5
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| Molecular Weight |
686.858
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| Canonical SMILES |
CN(CC(=O)N(C)Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C
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| InChI |
InChI=1S/C37H50N8O5/c1-24-18-28(46)19-25(2)29(24)21-30(38)34(48)42-31(16-11-17-41-37(39)40)35(49)43-32(20-26-12-7-5-8-13-26)36(50)45(4)23-33(47)44(3)22-27-14-9-6-10-15-27/h5-10,12-15,18-19,30-32,46H,11,16-17,20-23,38H2,1-4H3,(H,42,48)(H,43,49)(H4,39,40,41)
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| InChIKey |
OHVOJDRKZAWKAU-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