General Information of the Compound
| Compound ID |
CP0485519
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| Compound Name |
(2S)-2-[[[(2S)-2-acetamido-3-phenylpropanoyl]amino]carbamoylamino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C34H50N10O6
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| Molecular Weight |
694.838
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| Canonical SMILES |
CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C34H50N10O6/c1-21(2)18-27(42-34(50)44-43-32(49)28(39-22(3)45)20-24-14-9-6-10-15-24)31(48)40-25(16-11-17-38-33(36)37-4)30(47)41-26(29(35)46)19-23-12-7-5-8-13-23/h5-10,12-15,21,25-28H,11,16-20H2,1-4H3,(H2,35,46)(H,39,45)(H,40,48)(H,41,47)(H,43,49)(H3,36,37,38)(H2,42,44,50)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
FABLSCNJJVLGSS-LJWNLINESA-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