General Information of the Compound
| Compound ID |
CP0520456
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-2-[[[(2S)-2-amino-3-phenylpropanoyl]amino]carbamoylamino]-4-methylpentanamide
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| Structure |
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| Formula |
C32H48N10O5
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| Molecular Weight |
652.801
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| Canonical SMILES |
CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H48N10O5/c1-20(2)17-26(40-32(47)42-41-28(44)23(33)18-21-11-6-4-7-12-21)30(46)38-24(15-10-16-37-31(35)36-3)29(45)39-25(27(34)43)19-22-13-8-5-9-14-22/h4-9,11-14,20,23-26H,10,15-19,33H2,1-3H3,(H2,34,43)(H,38,46)(H,39,45)(H,41,44)(H3,35,36,37)(H2,40,42,47)/t23-,24-,25-,26-/m0/s1
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| InChIKey |
FFIAOKZKMMAUIG-CQJMVLFOSA-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