General Information of the Compound
| Compound ID |
CP0409444
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| Compound Name |
(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C41H55N7O6S
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| Molecular Weight |
774.001
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C41H55N7O6S/c1-27(2)22-33(39(52)46-32(37(43)50)20-21-55-4)45-36(49)26-44-40(53)35(25-30-18-12-7-13-19-30)48(3)41(54)34(24-29-16-10-6-11-17-29)47-38(51)31(42)23-28-14-8-5-9-15-28/h5-19,27,31-35H,20-26,42H2,1-4H3,(H2,43,50)(H,44,53)(H,45,49)(H,46,52)(H,47,51)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
OSHWDIGDZUBUHH-ZZTWKDBPSA-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