General Information of the Compound
| Compound ID |
CP0477055
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| Compound Name |
N-[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-1H-imidazole-5-carboxamide
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| Structure |
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| Formula |
C38H51N13O6
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| Molecular Weight |
785.911
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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(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C38H51N13O6/c1-22(2)16-29(49-38(57)51-50-36(56)30(17-23-10-5-4-6-11-23)48-35(55)31-20-42-21-45-31)34(54)46-27(14-9-15-43-37(40)41-3)33(53)47-28(32(39)52)18-24-19-44-26-13-8-7-12-25(24)26/h4-8,10-13,19-22,27-30,44H,9,14-18H2,1-3H3,(H2,39,52)(H,42,45)(H,46,54)(H,47,53)(H,48,55)(H,50,56)(H3,40,41,43)(H2,49,51,57)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
ZYRAOXSQCUMOMM-KRCBVYEFSA-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