General Information of the Compound
| Compound ID |
CP0443924
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[amino(azetidin-1-yl)methylidene]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanamide
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| Structure |
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| Formula |
C42H55N11O8
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| Molecular Weight |
841.971
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| Canonical SMILES |
NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCNC(=N)N1CCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C42H55N11O8/c43-24-35(55)47-25-36(56)48-32(22-28-13-6-2-7-14-28)39(59)52-34(26-54)41(61)51-33(23-29-15-8-3-9-16-29)40(60)49-30(17-18-46-42(45)53-19-10-20-53)38(58)50-31(37(44)57)21-27-11-4-1-5-12-27/h1-9,11-16,30-34,54H,10,17-26,43H2,(H2,44,57)(H2,45,46)(H,47,55)(H,48,56)(H,49,60)(H,50,58)(H,51,61)(H,52,59)/t30-,31-,32-,33-,34-/m0/s1
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| InChIKey |
ZLQQOEHPGOZWAI-LJADHVKFSA-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