General Information of the Compound
| Compound ID |
CP0435594
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| Compound Name |
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-(1H-imidazol-4-ylformamido)-3-phenylpropanamido]acetamido}-4-methylpentanamide
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| Structure |
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| Formula |
C38H50N12O6
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| Molecular Weight |
770.896
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C38H50N12O6/c1-22(2)15-29(47-32(51)20-45-34(53)30(16-23-9-4-3-5-10-23)50-37(56)31-19-42-21-46-31)36(55)48-27(13-8-14-43-38(40)41)35(54)49-28(33(39)52)17-24-18-44-26-12-7-6-11-25(24)26/h3-7,9-12,18-19,21-22,27-30,44H,8,13-17,20H2,1-2H3,(H2,39,52)(H,42,46)(H,45,53)(H,47,51)(H,48,55)(H,49,54)(H,50,56)(H4,40,41,43)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
IPKOCRVBXKWVSW-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